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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP015072

Lapathoside B

Formula: C51H52O22  |  Mol. Weight: 1016.90 g/mol

IUPAC: [(2S,3S,4R,5R)-4-hydroxy-2,5-bis[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxyoxolan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate

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Overview

Molecular Formula C51H52O22
Molecular Weight 1016.90 g/mol
Canonical SMILES COC1=C(C=CC(=C1)C=CC(=O)OCC2C(C(C(C(O2)OC3(C(C(C(O3)COC(=O)C=CC4=CC(=C(C=C4)O)OC)O)OC(=O)C=CC5=CC=C(C=C5)O)COC(=O)C=CC6=CC(=C(C=C6)O)OC)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy