TPCN05884

Name Isoxuxuarine Gb
Molecular Formula C58H74O8
Molecular Weight 899.22
CAS Registry Number 758708-88-2
SMILES COC(=O)C1(C)CCC2(C)CCC3(C)C4=CC=C5C(=CC(=O)C6(O)Oc7c(cc8c(c7C)C(=O)C=C7C8(C)CCC8(C)C9CC(C)C(=O)CC9(C)CCC78C)OC56C)C4(C)CCC3(C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Celastraceae Maytenus chuchuhuasca Barks 0.000014% Chem Pharm Bull (Tokyo). 2004 Jun;52(6):739-46. 10.1248/cpb.52.739.
Properties
HBA 8 HBD 1
HeavyAtoms 66 AlogP 11.78
TPSA 116.20 RotatableBonds 1
FractionCSP3 0.69 Rings 11
AromaticRings 1 AliphaticRings 10