TPCN02759

Name Geniculatines B
Molecular Formula C33H47NO9
Molecular Weight 601.74
CAS Registry Number 359798-73-5
SMILES CCN1CC2(COC)CCC(O)C34C5CC6C(OC)CC(O)(C5C6OC(=O)c5ccc(OC)c(OC)c5)C(C(OC)C23)C14
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Aconitum hemsleyanum Roots 0.000300% Nat Prod Res, 1-6 (2019). 10.1080/14786419.2018.1560292
Properties
HBA 10 HBD 2
HeavyAtoms 43 AlogP 2.38
TPSA 116.15 RotatableBonds 9
FractionCSP3 0.79 Rings 7
AromaticRings 1 AliphaticRings 6