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Chemical structure of 6"-O-Apiosyl-5-O-Methylvisammioside

GC35172

6"-O-Apiosyl-5-O-Methylvisammioside

Also known as (2S)-2-[2-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxypropan-2-yl]-4-methoxy-7-methyl-2,3-dihydrofuro[3,2-g]chromen-5-one

6"-O-Apiosyl-5-O-Methylvisammioside is one of the components of the traditional Chinese medicine Kang-Jing

ChemicalCAS139446-82-5MW584.57FormulaC27H36O14
CAS number
139446-82-5
Molecular weight
584.57
Formula
C27H36O14
Solubility
Soluble in DMSO
InChIKey
SJVSLVBGYDDGSZ-OPKDPXHTSA-N
Catalogue number
GC35172
Brand
GLPBIO
Computed properties PubChem CID 124201619 · XLogP -1.5 · TPSA 203 Ų · H-bond donors 6
XLogP
-1.5
TPSA
203 Ų
H-bond donors
6
H-bond acceptors
14
Rotatable bonds
8
Heavy atoms
41

SMILES CC1=CC(=O)C2=C(C3=C(C=C2O1)O[C@@H](C3)C(C)(C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@](CO5)(CO)O)O)O)O)O)OC

Computed descriptors from PubChem (CID 124201619), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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