TPCN05512

Name Triscutin B
Molecular Formula C30H40O5
Molecular Weight 480.65
CAS Registry Number 220802-91-5
SMILES COC(=O)C1(C)CCC2(C)CC(O)C3(C)C4=CC=C5C(=CC(=O)C(O)=C5C)C4(C)CCC3(C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Celastraceae Maytenus scutioides Barks 0.000333% J Nat Prod. 1999. 62, 1185-1187. 10.1021/np9900728.
Properties
HBA 5 HBD 2
HeavyAtoms 35 AlogP 5.76
TPSA 83.83 RotatableBonds 1
FractionCSP3 0.67 Rings 5
AromaticRings 0 AliphaticRings 5