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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP004922

[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(2R,3S,6S,8S)-6-hydroxy-2-[(4-hydroxybenzoyl)oxymethyl]-8-methyl-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-3-yl]oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate

Formula: C30H32O16  |  Mol. Weight: 648.60 g/mol

IUPAC: [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(2R,3S,6S,8S)-6-hydroxy-2-[(4-hydroxybenzoyl)oxymethyl]-8-methyl-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-3-yl]oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate

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Overview

Molecular Formula C30H32O16
Molecular Weight 648.60 g/mol
Canonical SMILES CC12CC3(C4CC1(C4(C(O2)O3)COC(=O)C5=CC=C(C=C5)O)OC6C(C(C(C(O6)COC(=O)C7=CC(=C(C(=C7)O)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy