TPCN05092

Name N-Tigloylbuxahyrcanine
Molecular Formula C31H52N2O2
Molecular Weight 484.77
CAS Registry Number 552291-02-8
SMILES CC=C(C)C(=O)NC1CCC2(O)CC3=CCC4(C)C(C(C)N(C)C)CCC4(C)C3CCC2C1(C)C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Buxaceae Buxus hyrcana Leaves 0.000526% J Nat Prod 66, 739-742 (2003). 10.1021/np020446o
Properties
HBA 4 HBD 2
HeavyAtoms 35 AlogP 6.11
TPSA 52.57 RotatableBonds 4
FractionCSP3 0.84 Rings 4
AromaticRings 0 AliphaticRings 4