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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP031099

(2S,3R,4S,5R,6R)-6-[(2S,3S,4R,5R,6R)-6-carboxy-2-[[(1R,2S,5R,6S,9S,11R,14R,15S,19R,21R)-2,5,6,10,10,14,21-heptamethyl-16,22-dioxo-23-oxahexacyclo[19.3.1.02,19.05,18.06,15.09,14]pentacos-17-en-11-yl]oxy]-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Formula: C43H62O16  |  Mol. Weight: 834.90 g/mol

IUPAC: (2S,3R,4S,5R,6R)-6-[(2S,3S,4R,5R,6R)-6-carboxy-2-[[(1R,2S,5R,6S,9S,11R,14R,15S,19R,21R)-2,5,6,10,10,14,21-heptamethyl-16,22-dioxo-23-oxahexacyclo[19.3.1.02,19.05,18.06,15.09,14]pentacos-17-en-11-yl]oxy]-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Overview

Molecular Formula C43H62O16
Molecular Weight 834.90 g/mol
Canonical SMILES CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)C(=O)O)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O)C)C(=O)C=C6C3(CCC7(C6CC8(CC7COC8=O)C)C)C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy