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Chemical structure of Osmanthuside B

GC71971

Osmanthuside B

Also known as [(2R,3R,4R,5R,6R)-5-hydroxy-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate

Osmanthuside B can be isolated from Pseuderanthemum carruthersii (Seem

ChemicalCAS94492-23-6MW592.59FormulaC29H36O13
CAS number
94492-23-6
Molecular weight
592.59
Formula
C29H36O13
InChIKey
PRTREKIVGSNQRM-DQHNYDBYSA-N
Catalogue number
GC71971
Brand
GLPBIO
Computed properties PubChem CID 10438425 · XLogP 0.2 · TPSA 205 Ų · H-bond donors 7
XLogP
0.2
TPSA
205 Ų
H-bond donors
7
H-bond acceptors
13
Rotatable bonds
11
Heavy atoms
42

SMILES C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2OC(=O)/C=C/C3=CC=C(C=C3)O)CO)OCCC4=CC=C(C=C4)O)O)O)O)O

Computed descriptors from PubChem (CID 10438425), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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