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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP038635

6-[2-[[4,4,6a,6b,8a,11,11,14b-octamethyl-14-oxo-9-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Formula: C48H74O19  |  Mol. Weight: 955.10 g/mol

IUPAC: 6-[2-[[4,4,6a,6b,8a,11,11,14b-octamethyl-14-oxo-9-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

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Overview

Molecular Formula C48H74O19
Molecular Weight 955.10 g/mol
Canonical SMILES CC1C(C(C(C(O1)OC2CC(CC3C2(CCC4(C3=CC(=O)C5C4(CCC6C5(CCC(C6(C)C)OC7C(C(C(C(O7)C(=O)O)O)O)OC8C(C(C(C(O8)C(=O)O)O)O)O)C)C)C)C)(C)C)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy