TPCN02826

Name Spicatine A
Molecular Formula C34H49NO10
Molecular Weight 631.76
CAS Registry Number 124256-81-1
SMILES CCOC12C(O)C(OC)C3(O)CC(C1C3OC(=O)c1ccccc1)C13C(OC)CC(O)C4(COC)CN(CC)C1C2C(OC)C43
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Aconitum soongaricum Whole plants 0.000231% Nat Prod Res 31, 523-528 (2017). 10.1080/14786419.2016.1198348
Properties
HBA 11 HBD 3
HeavyAtoms 45 AlogP 1.12
TPSA 136.38 RotatableBonds 10
FractionCSP3 0.79 Rings 7
AromaticRings 1 AliphaticRings 6