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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP011031

(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-[[(4R,6aR,6bS,8S,14bS)-8-hydroxy-4,8a-bis(hydroxymethyl)-14-methoxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-dihydroxy-6-methyloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Formula: C43H72O14  |  Mol. Weight: 813.00 g/mol

IUPAC: (2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-[[(4R,6aR,6bS,8S,14bS)-8-hydroxy-4,8a-bis(hydroxymethyl)-14-methoxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-dihydroxy-6-methyloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

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Overview

Molecular Formula C43H72O14
Molecular Weight 813.00 g/mol
Canonical SMILES CC1C(C(C(C(O1)OC2CCC3(C(C2(C)CO)CCC4(C3C(C=C5C4(CC(C6(C5CC(CC6)(C)C)CO)O)C)OC)C)C)O)OC7C(C(C(C(O7)CO)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy