TPCN02747

Name Majusimine A
Molecular Formula C45H47NO15
Molecular Weight 841.86
CAS Registry Number 1097648-74-2
SMILES C=C1C2C(OC(=O)c3ccccc3)C3C4N(C)C5C(OC(C)=O)C3(C1OC(C)=O)C(C2OC(C)=O)C41C(OC(C)=O)C(OC(=O)c2ccccc2)C(OC(C)=O)C(C)(C=O)C51
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Delphinium majus Whole plants 0.000312% J Nat Prod 72, 18-23 (2009). 10.1021/np800439a
Properties
HBA 16 HBD 0
HeavyAtoms 61 AlogP 3.05
TPSA 204.41 RotatableBonds 10
FractionCSP3 0.51 Rings 10
AromaticRings 2 AliphaticRings 8