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Chemical structure of Rabdosiin

GC39033

Rabdosiin

Also known as (2S)-2-[(1S,2R)-3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-1-(3,4-dihydroxyphenyl)-6,7-dihydroxy-1,2-dihydronaphthalene-2-carbonyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid

Rabdosiin is a tetramer of caffeic acid isolated from the stem of Rabdosia japonica Hara

ChemicalCAS263397-69-9MW718.61FormulaC36H30O16
CAS number
263397-69-9
Molecular weight
718.61
Formula
C36H30O16
Solubility
DMSO ： 100 mg/mL (139·16 mM; Need ultrasonic)
InChIKey
VKWZFIDWHLCPHJ-ZLESDFJESA-N
Catalogue number
GC39033
Brand
GLPBIO
Computed properties PubChem CID 101064233 · XLogP 3.9 · TPSA 289 Ų · H-bond donors 10
XLogP
3.9
TPSA
289 Ų
H-bond donors
10
H-bond acceptors
16
Rotatable bonds
13
Heavy atoms
52

SMILES C1=CC(=C(C=C1C[C@@H](C(=O)O)OC(=O)[C@@H]2[C@H](C3=CC(=C(C=C3C=C2C(=O)O[C@H](CC4=CC(=C(C=C4)O)O)C(=O)O)O)O)C5=CC(=C(C=C5)O)O)O)O

Computed descriptors from PubChem (CID 101064233), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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