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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP015522

[(2S,3S,4aS,6R,7S,8S,8aR)-7,8-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-3,4a,6,7,8,8a-hexahydro-2H-pyrano[2,3-b][1,4]dioxin-6-yl]methyl 3,4,5-trihydroxybenzoate

Formula: C23H26O13  |  Mol. Weight: 510.40 g/mol

IUPAC: [(2S,3S,4aS,6R,7S,8S,8aR)-7,8-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-3,4a,6,7,8,8a-hexahydro-2H-pyrano[2,3-b][1,4]dioxin-6-yl]methyl 3,4,5-trihydroxybenzoate

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Overview

Molecular Formula C23H26O13
Molecular Weight 510.40 g/mol
Canonical SMILES COC1=C(C=CC(=C1)C2C(OC3C(O2)C(C(C(O3)COC(=O)C4=CC(=C(C(=C4)O)O)O)O)O)CO)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy