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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP011138

3-O-MethylduchesideA

Formula: C21H18O12  |  Mol. Weight: 462.40 g/mol

IUPAC: 6-hydroxy-7,14-dimethoxy-13-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione

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Overview

Molecular Formula C21H18O12
Molecular Weight 462.40 g/mol
Canonical SMILES COC1=C(C=C2C3=C1OC(=O)C4=CC(=C(C(=C43)OC2=O)OC)OC5C(C(C(CO5)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy