TPCN00967

Name Aquaticol
Molecular Formula C30H44O4
Molecular Weight 468.68
CAS Registry Number 221012-52-8
SMILES CC1(O)C(=O)C2C(C3(C)CCCC3(C)C)=CC1C1C2C(C2(C)CCCC2(C)C)=CC(=O)C1(C)O
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Plantaginaceae Veronica anagallis Whole plants 0.006000% Planta Med 66(3): 281-283.(2000) 10.1055/s-2000-8564
Properties
HBA 4 HBD 2
HeavyAtoms 34 AlogP 5.42
TPSA 74.60 RotatableBonds 2
FractionCSP3 0.80 Rings 6
AromaticRings 0 AliphaticRings 6