bergenin

(2R,3S,4S,4aR,10bS)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-6-one

CAS: 477-90-7

Molecular Formula	`C14H16O9`
Molecular Weight	328.27 g/mol
LogP	-1.0
Topological Polar Surface Area	146.0 A2
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	9
Rotatable Bonds	2
Exact Mass	328.07944
Heavy Atoms	23
Complexity	458.0

Chemical Identifiers

CAS Number	477-90-7
SMILES	`COC1=C(C=C2C(=C1O)C3C(C(C(C(O3)CO)O)O)OC2=O)O`
InChIKey	`YWJXCIXBAKGUKZ-HJJNZUOJSA-N`

📖 Product Overview

bergenin (CAS: 477-90-7) is a chemical compound with molecular formula C14H16O9 and molecular weight 328.27 g/mol. Its IUPAC systematic name is (2R,3S,4S,4aR,10bS)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-6-one. LogP -1.0 Topological Polar Surface Area 146.0 A2 Hydrogen Bond Donors 5 Hydrogen Bond Acceptors 9 Rotatable Bonds 2 Exact Mass 328.07944 Heavy Atoms 23 Complexity 458.0 InChI Key: YWJXCIXBAKGUKZ-HJJNZUOJSA-N. SMILES: COC1=C(C=C2C(=C1O)C3C(C(C(C(O3)CO)O)O)OC2=O)O.

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