TPCN05133

Name Graminol A
Molecular Formula C30H52O
Molecular Weight 428.75
CAS Registry Number 259095-58-4
SMILES CC(C)=CCCC(C)=CCCC(C)C1(C)CCC2(C)C(CCCO)C(=C(C)C)CCC12
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Theaceae Hordeurn vulgare Seeds 0.000300% Lipids 34, 1151-1157 (1999) 10.1007/s11745-999-0466-5
Properties
HBA 1 HBD 1
HeavyAtoms 31 AlogP 9.04
TPSA 20.23 RotatableBonds 10
FractionCSP3 0.80 Rings 2
AromaticRings 0 AliphaticRings 2