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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP032275

Tragopogonsaponin L

Formula: C50H74O15  |  Mol. Weight: 915.10 g/mol

IUPAC: [5-hydroxy-3-[3-(4-hydroxyphenyl)propanoyloxy]-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl] 5,10-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

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Overview

Molecular Formula C50H74O15
Molecular Weight 915.10 g/mol
Canonical SMILES CC1(CCC2(C(C1)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)O)C)C(=O)OC6C(C(C(CO6)O)OC7C(C(C(C(O7)CO)O)O)O)OC(=O)CCC8=CC=C(C=C8)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy