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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP013353

Aceroside B1

Formula: C25H32O8  |  Mol. Weight: 460.50 g/mol

IUPAC: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(10R)-10-hydroxy-2-oxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),15,18-hexaen-4-yl]oxy]oxane-3,4,5-triol

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Overview

Molecular Formula C25H32O8
Molecular Weight 460.50 g/mol
Canonical SMILES C1CCC2=CC=C(C=C2)OC3=C(C=CC(=C3)CCC(C1)O)OC4C(C(C(C(O4)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy