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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP006865

(2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[[(4aS,5S,6aR,6aR,6bR,8aR,9R,10S,12aR,14aS)-5,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-9-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-3,4,5,6,6a,7,8,8a,10,11,12,13,14,14a-tetradecahydropicen-4a-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Formula: C59H98O28  |  Mol. Weight: 1255.40 g/mol

IUPAC: (2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[[(4aS,5S,6aR,6aR,6bR,8aR,9R,10S,12aR,14aS)-5,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-9-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-3,4,5,6,6a,7,8,8a,10,11,12,13,14,14a-tetradecahydropicen-4a-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

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Overview

Molecular Formula C59H98O28
Molecular Weight 1255.40 g/mol
Canonical SMILES CC1(CCC2(C(CC3(C(C2=C1)CCC4C3(CCC5C4(CCC(C5(C)COC6C(C(C(C(O6)COC7C(C(C(C(O7)COC8C(C(C(CO8)O)O)O)O)O)O)O)O)O)O)C)C)C)O)COC9C(C(C(C(O9)COC1C(C(C(C(O1)CO)O)O)O)O)O)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy