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Chemical structure of Clitorin

GC35709

Clitorin

Also known as 3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one

Clitorin is a kaempferol glycoside isolated from the flowers and leaves of Acalypha indica, and has antioxidant activity

ChemicalCAS55804-74-5MW740.66FormulaC33H40O19
CAS number
55804-74-5
Molecular weight
740.66
Formula
C33H40O19
Solubility
DMSO ： 100 mg/mL (135·01 mM; Need ultrasonic)
InChIKey
WRXVPTMENPZUIZ-QEZWUOJGSA-N
Catalogue number
GC35709
Brand
GLPBIO
Computed properties PubChem CID 11592917 · XLogP -2 · TPSA 304 Ų · H-bond donors 11
XLogP
-2
TPSA
304 Ų
H-bond donors
11
H-bond acceptors
19
Rotatable bonds
8
Heavy atoms
52

SMILES C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)O[C@H]6[C@@H]([C@@H]([C@H]([C@@H](O6)C)O)O)O)O)O)O)O)O

Computed descriptors from PubChem (CID 11592917), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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