TPCN03115

Name Taxumairol K
Molecular Formula C37H46O14
Molecular Weight 714.76
CAS Registry Number 205577-58-8
SMILES CC(=O)OC1CC2(C(C)(C)O)C(=C1C)C(OC(C)=O)C(OC(=O)c1ccccc1)C1(C)C(OC(C)=O)CC3OCC3(OC(C)=O)C1C2OC(C)=O
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Taxaceae Taxus mairei Roots 0.000058% J Nat Prod 61, 838-840 (1998). 10.1021/np970573y
Properties
HBA 14 HBD 1
HeavyAtoms 51 AlogP 3.16
TPSA 187.26 RotatableBonds 8
FractionCSP3 0.62 Rings 5
AromaticRings 1 AliphaticRings 4