TPCN02280

Name Langduin D
Molecular Formula C29H32O9
Molecular Weight 524.57
CAS Registry Number 866465-83-0
SMILES COc1cc2c(c(O)c1C(C)=O)C=C1C(=O)OC3C45CCC6C(C)(C)CCCC6(C)C4C(O)(C(=O)O5)C13O2
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Euphorbiaceae Euphorbia fischeriana Whole plants 0.003468% J Nat Prod 74, 1508-1512 (2011). 10.1021/np200058c
Properties
HBA 9 HBD 2
HeavyAtoms 38 AlogP 3.33
TPSA 128.59 RotatableBonds 2
FractionCSP3 0.62 Rings 7
AromaticRings 1 AliphaticRings 6