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Chemical structure of Ophiopogonside A

GC69627

Ophiopogonside A

Also known as (2S,3R,4S,5S,6R)-2-[2-[(3R,5R,8R)-3,8-dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl]propan-2-yloxy]-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol

Ophiopogonside A is a natural product that can be isolated from Ophiopogon japonicus and has anti-tumor activity

ChemicalCAS2423917-90-0MW516.62FormulaC26H44O10
CAS number
2423917-90-0
Molecular weight
516.62
Formula
C26H44O10
InChIKey
CMWCOGXNTXNBEV-GOIGYIMQSA-N
Catalogue number
GC69627
Brand
GLPBIO
Computed properties PubChem CID 162642222 · XLogP -0.6 · TPSA 158 Ų · H-bond donors 6
XLogP
-0.6
TPSA
158 Ų
H-bond donors
6
H-bond acceptors
10
Rotatable bonds
6
Heavy atoms
36

SMILES C[C@@H]1CC[C@H](CC2=C1CC[C@H]2C)C(C)(C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO[C@H]4[C@@H]([C@H]([C@@H](CO4)O)O)O)O)O)O

Computed descriptors from PubChem (CID 162642222), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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