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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP001060

methyl (1S,4aR,6S,7R,7aS)-4a,7-dihydroxy-6-[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate

Formula: C26H32O14  |  Mol. Weight: 568.50 g/mol

IUPAC: methyl (1S,4aR,6S,7R,7aS)-4a,7-dihydroxy-6-[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate

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Overview

Molecular Formula C26H32O14
Molecular Weight 568.50 g/mol
Canonical SMILES CC1(C(CC2(C1C(OC=C2C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O)O)OC(=O)C=CC4=CC=C(C=C4)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy