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Chemical structure of Steppogenin-7,4'-di-O-β-D-glucoside

GC69957

Steppogenin-7,4'-di-O-β-D-glucoside

Also known as (2S)-5-hydroxy-2-[2-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one

Steppogenin-7,4'-di-O-beta-D-glucoside is a natural product that can be isolated from the roots of Morus nigra

ChemicalCAS1193750-99-0MW612.53FormulaC27H32O16
CAS number
1193750-99-0
Molecular weight
612.53
Formula
C27H32O16
InChIKey
ZJKGZYLOMWQQSY-YGEVQDKLSA-N
Catalogue number
GC69957
Brand
GLPBIO
Computed properties PubChem CID 168450489 · XLogP -1.6 · TPSA 266 Ų · H-bond donors 10
XLogP
-1.6
TPSA
266 Ų
H-bond donors
10
H-bond acceptors
16
Rotatable bonds
7
Heavy atoms
43

SMILES C1[C@H](OC2=CC(=CC(=C2C1=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C4=C(C=C(C=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O

Computed descriptors from PubChem (CID 168450489), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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