Hederacolchiside A1 is extracted from Pulsatilla vulgaris and causes apoptosis by regulating the PI3K/Akt/mTOR signaling pathway, thereby inhibiting the proliferation of tumor cells. Hederacolchiside A1 has antischistosomiasis activity, affecting parasite viability both internally and externally.

Physicochemical Properties

Molecular Formula	C47H76O16
Molecular Weight	897.10
Exact Mass	896.513
CAS #	106577-39-3
PubChem CID	11622076
Appearance	White to off-white solid powder
Density	1.36±0.1 g/cm3 (20 ºC 760 Torr)
Boiling Point	967.2±65.0 °C at 760 mmHg
Melting Point	253-255℃ (methanol , water )
Flash Point	276.2±27.8 °C
Vapour Pressure	0.0±0.6 mmHg at 25°C
Index of Refraction	1.610
LogP	7.36
Hydrogen Bond Donor Count	9
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	8
Heavy Atom Count	63
Complexity	1720
Defined Atom Stereocenter Count	22
SMILES	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H](CO[C@H]2O[C@H]3CC[C@]4([C@H](C3(C)C)CC[C@@]5([C@@H]4CC=C6[C@]5(CC[C@@]7([C@H]6CC(CC7)(C)C)C(=O)O)C)C)C)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)O)O
InChi Key	FYSAXYBPXKLMJO-IFECXJOTSA-N
InChi Code	InChI=1S/C47H76O16/c1-22-30(49)33(52)35(54)38(59-22)63-37-32(51)26(61-39-36(55)34(53)31(50)25(20-48)60-39)21-58-40(37)62-29-12-13-44(6)27(43(29,4)5)11-14-46(8)28(44)10-9-23-24-19-42(2,3)15-17-47(24,41(56)57)18-16-45(23,46)7/h9,22,24-40,48-55H,10-21H2,1-8H3,(H,56,57)/t22-,24-,25+,26-,27-,28+,29-,30-,31+,32-,33+,34-,35+,36+,37+,38-,39-,40-,44-,45+,46+,47-/m0/s1
Chemical Name	(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-4-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: This product requires protection from light (avoid light exposure) during transportation and storage.
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

Targets	PI3K mTOR
ln Vitro	Hederacolchiside A1 raises cleaved caspase-3 levels while decreasing Bcl-2 protein levels and the mitochondrial membrane potential[1]. Mammalian target of rapamycin (mTOR), protein kinase B (Akt), and phosphatidylinositol 3 kinase (PI3K) are all efficiently inhibited by hederacolchiside A1 [1].
ln Vivo	In an H22 xenograft model, hederacolchiside A1 (3.0, 4.5, and 6.0 mg/kg, ip) can significantly suppress the weight of the tumor[1]. In xenograft tumor models in nude mice, hederacolchiside A1 (3.25, 7.5, and 15.0 mg/kg, ir) can dramatically reduce the weight of the tumor utilizing human breast cancer MCF-7 cells[1].
References	[1]. Hederacolchiside A1 suppresses proliferation of tumor cells by inducing apoptosis through modulating PI3K/Akt/mTOR signaling pathway. Chinese Herbal Medicines.Volume 10, Issue 2, April 2018, Pages 215-222. [2]. Antischistosomal Properties of Hederacolchiside A1 Isolated from Pulsatilla chinensis. Molecules. 2018 Jun 13;23(6).
Additional Infomation	Hederacolchiside A1 has been reported in Serjania salzmanniana with data available.

Solubility Data

Solubility (In Vitro)

DMSO : 100 mg/mL (111.47 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (2.79 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (2.79 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 2.5 mg/mL (2.79 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	1.1147 mL	5.5735 mL	11.1470 mL
	5 mM	0.2229 mL	1.1147 mL	2.2294 mL
	10 mM	0.1115 mL	0.5574 mL	1.1147 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.