TPCN03522

[object Object]
Name Taxumariene A
Molecular Formula C42H55NO15
Molecular Weight 813.89
CAS Registry Number 2624207-55-0
SMILES CC(=O)OC1=C(C)C(OC(C)=O)CC(OC(=O)C(O)C(c2ccccc2)N(C)C(C)=O)C(CO)=CC(OC(C)=O)C2CC(OC(C)=O)C(C)=C(C1OC(C)=O)C2(C)C
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Taxaceae Taxus mairei Leaves 0.000200% Bioorganic Chemistry 94, (2020). 10.1016/j.bioorg.2019.103400
Properties
HBA 16 HBD 2
HeavyAtoms 58 AlogP 3.73
TPSA 218.57 RotatableBonds 11
FractionCSP3 0.55 Rings 3
AromaticRings 1 AliphaticRings 2