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Chemical structure of 6-Methoxykaempferol 3-O-Rutinoside

GC35178

6-Methoxykaempferol 3-O-Rutinoside

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

6-Methoxykaempferol 3-O-Rutinoside is a natural product isolated from the herbs of Pilocarpus pennatifolius

ChemicalCAS403861-33-6MW624.54FormulaC28H32O16
CAS number
403861-33-6
Molecular weight
624.54
Formula
C28H32O16
Solubility
Soluble in DMSO
InChIKey
FPVLVSUOCXHCMR-FPHOCJSOSA-N
Catalogue number
GC35178
Brand
GLPBIO
Computed properties PubChem CID 70694423 · XLogP -1 · TPSA 255 Ų · H-bond donors 9
XLogP
-1
TPSA
255 Ų
H-bond donors
9
H-bond acceptors
16
Rotatable bonds
7
Heavy atoms
44

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=C(C3=O)C(=C(C(=C4)O)OC)O)C5=CC=C(C=C5)O)O)O)O)O)O)O

Computed descriptors from PubChem (CID 70694423), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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