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Chemical structure of Anemarrhenasaponin A2

GC60583

Anemarrhenasaponin A2

Also known as (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(1R,2S,4S,5'S,6R,7S,8R,9S,12S,13S,15S,16R,18R)-15-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Anemarrhenasaponin A2 (Schidigerasaponin F2) is a steroidal saponin isolated from the rhizomes of Anemarrhena asphodeloides

ChemicalCAS117210-12-5MW756.92FormulaC39H64O14
CAS number
117210-12-5
Molecular weight
756.92
Formula
C39H64O14
InChIKey
ZGVRGXGXZKITGK-OVTRSHBNSA-N
Catalogue number
GC60583
Brand
GLPBIO
Computed properties PubChem CID 21603431 · XLogP 2.3 · TPSA 217 Ų · H-bond donors 8
XLogP
2.3
TPSA
217 Ų
H-bond donors
8
H-bond acceptors
14
Rotatable bonds
6
Heavy atoms
53

SMILES C[C@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@H]6[C@@]5(C[C@@H]([C@@H](C6)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)C)C)C)OC1

Computed descriptors from PubChem (CID 21603431), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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