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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP025552

[(4aR,6R,7S,8S,8aR)-2-(3,4-dihydroxyphenyl)-8-hydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]-3,4a,6,7,8,8a-hexahydro-2H-pyrano[2,3-b][1,4]dioxin-7-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

Formula: C29H34O15  |  Mol. Weight: 622.60 g/mol

IUPAC: [(4aR,6R,7S,8S,8aR)-2-(3,4-dihydroxyphenyl)-8-hydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]-3,4a,6,7,8,8a-hexahydro-2H-pyrano[2,3-b][1,4]dioxin-7-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

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Overview

Molecular Formula C29H34O15
Molecular Weight 622.60 g/mol
Canonical SMILES CC1C(C(C(C(O1)OCC2C(C(C3C(O2)OCC(O3)C4=CC(=C(C=C4)O)O)O)OC(=O)C=CC5=CC(=C(C=C5)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy