TPCN03495

Name Xerophilsin G
Molecular Formula C22H28O8
Molecular Weight 420.46
CAS Registry Number 2756375-09-2
SMILES CC(=O)OC1CC2C3OC4OC5(O)C(O)C6C(C)(C)CCCC46C1C35C(=O)C21CO1
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Lamiaceae Isodon xerophilus Aerial parts 0.000012% None 10.1021/acs.jnatprod.0c00983
Properties
HBA 8 HBD 2
HeavyAtoms 30 AlogP 0.52
TPSA 114.82 RotatableBonds 1
FractionCSP3 0.91 Rings 9
AromaticRings 0 AliphaticRings 9