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Chemical structure of Sagittatoside A

GC37581

Sagittatoside A

Also known as 3-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one

Sagittatoside A is a natural compound isolated from traditional Chinese herb Yinyanghuo (Herba Epimdii)

ChemicalCAS118525-35-2MW676.66FormulaC33H40O15
CAS number
118525-35-2
Molecular weight
676.66
Formula
C33H40O15
Solubility
DMSO ： 31·25 mg/mL (46·18 mM; Need ultrasonic)
InChIKey
COHHGQPQHHUMDG-WVQJJEIESA-N
Catalogue number
GC37581
Brand
GLPBIO
Computed properties PubChem CID 13916054 · XLogP 1.9 · TPSA 234 Ų · H-bond donors 8
XLogP
1.9
TPSA
234 Ų
H-bond donors
8
H-bond acceptors
15
Rotatable bonds
9
Heavy atoms
48

SMILES C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=C(C(=CC(=C3C2=O)O)O)CC=C(C)C)C4=CC=C(C=C4)OC)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O

Computed descriptors from PubChem (CID 13916054), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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