Complanatuside is a flavonoid compound found in the traditional Chinese medicine Shayuanzi.

Physicochemical Properties

Molecular Formula	C28H32O16
Molecular Weight	624.5441
Exact Mass	624.169
CAS #	116183-66-5
PubChem CID	5492406
Appearance	Light yellow to yellow solid powder
Density	1.7±0.1 g/cm3
Boiling Point	975.0±65.0 °C at 760 mmHg
Flash Point	320.2±27.8 °C
Vapour Pressure	0.0±0.3 mmHg at 25°C
Index of Refraction	1.727
LogP	-0.13
Hydrogen Bond Donor Count	9
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	8
Heavy Atom Count	44
Complexity	1020
Defined Atom Stereocenter Count	10
SMILES	COC1=CC(=C2C(=C1)OC(=C(C2=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C4=CC=C(C=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O
InChi Key	KKPKUPKKMALLKG-QDYVESOYSA-N
InChi Code	InChI=1S/C28H32O16/c1-39-12-6-13(31)17-14(7-12)41-25(26(20(17)34)44-28-24(38)22(36)19(33)16(9-30)43-28)10-2-4-11(5-3-10)40-27-23(37)21(35)18(32)15(8-29)42-27/h2-7,15-16,18-19,21-24,27-33,35-38H,8-9H2,1H3/t15-,16-,18-,19-,21+,22+,23-,24-,27-,28+/m1/s1
Chemical Name	5-hydroxy-7-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
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
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

ln Vitro	The mature, dried seeds of Astragalus complanatus Bunge are known as semen (SAC). In traditional Chinese medicine, these seeds are used to heal ailments of the muscles, liver, kidneys, blood, skin, and reproductive system. Fatty acids, amino acids, polysaccharides, flavonoids, triterpene glycosides, and trace elements are the principal ingredients of SAC. SAC provides a number of therapeutic benefits for long-term conditions such cancer, diabetes, and cardiovascular disease. According to studies, the primary bioactive elements of SAC are flavonoids [1][2].
References	[1]. Semen Astragali Complanati: an ethnopharmacological, phytochemical and pharmacological review. J Ethnopharmacol. 2014 Aug 8;155(1):39-53.
Additional Infomation	Complanatuside has been reported in Nervilia fordii with data available.

Solubility Data

Solubility (In Vitro)

DMSO : ≥ 100 mg/mL (~160.12 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (3.33 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 20.8 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 2: ≥ 2.08 mg/mL (3.33 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 20.8 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	1.6012 mL	8.0059 mL	16.0118 mL
	5 mM	0.3202 mL	1.6012 mL	3.2024 mL
	10 mM	0.1601 mL	0.8006 mL	1.6012 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.