TPCN05349

Name Acaciamine
Molecular Formula C43H67NO13
Molecular Weight 806.00
CAS Registry Number 185310-06-9
SMILES CC(=O)NC1C(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)C6CC5(C(=O)O6)C(O)CC34C)C2(C)C)OC(COC2OCC(O)C(O)C2O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Fabaceae Acacia auriculiformis Fruits 0.003000% Phytochemistry. 1997. 44, 137-140. 10.1016/s0031-9422(96)00399-8.
Properties
HBA 14 HBD 7
HeavyAtoms 57 AlogP 2.09
TPSA 213.70 RotatableBonds 6
FractionCSP3 0.91 Rings 8
AromaticRings 0 AliphaticRings 8