TPCN06205

Name Nudicaucin C;Ilekudinoside A
Molecular Formula C53H86O21
Molecular Weight 1059.25
CAS Registry Number 211815-98-4
SMILES CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(=O)OC6OC(CO)C(O)C(O)C6O)CCC45C)C3(C)C)OCC(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Aquifoliaceae Ilex latifolia Barks 0.000250% Chem Pharm Bull (Tokyo) . 2001 Jun;49(6):765-7 10.1248/cpb.49.765
Zygophyllaceae Larrea tridentata Aerial parts 0.000233% Phytochemistry . 2010 Dec;71(17-18):2157-67 10.1016/j.phytochem.2010.09.012
Properties
HBA 21 HBD 12
HeavyAtoms 74 AlogP -0.37
TPSA 333.67 RotatableBonds 10
FractionCSP3 0.94 Rings 9
AromaticRings 0 AliphaticRings 9