TPCN00392

Name Taberdivarine F
Molecular Formula C46H58N4O6
Molecular Weight 762.99
CAS Registry Number 1662688-31-4
SMILES CCC1CN(C)C2Cc3c([nH]c4ccccc34)C(c3cc4[nH]c5c(c4cc3OC)CCN3C(CC(C)=O)C4CC(CC)C3C5(C(=O)OC)C4)CC1C2C(=O)OC
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Apocynaceae Tabernaemontana bufalina Aerial parts 0.000360% Planta Med, 2018, 84, 1127-1133. 10.1055/a-0608-4988
Properties
HBA 10 HBD 2
HeavyAtoms 56 AlogP 6.92
TPSA 116.96 RotatableBonds 8
FractionCSP3 0.59 Rings 10
AromaticRings 4 AliphaticRings 6