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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP028168

Githagosid

Formula: C53H84O21  |  Mol. Weight: 1057.20 g/mol

IUPAC: (4aS,6aR,6aS,6bR,8aR,9S,10S,12aR,14bS)-10-[4,5-dihydroxy-3-[3-hydroxy-6-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-9-formyl-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

Overview

Molecular Formula C53H84O21
Molecular Weight 1057.20 g/mol
Canonical SMILES CC1C(C(C(C(O1)OC2CCC3(C(C2(C)C=O)CCC4(C3CC=C5C4(CCC6(C5CC(CC6)(C)C)C(=O)O)C)C)C)OC7C(C(C(C(O7)C)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy