TPCN00028

Name Kodemariosides E
Molecular Formula C25H30O12
Molecular Weight 522.50
CAS Registry Number 1222561-30-9
SMILES CC(C)=CC1OC(=O)C(=CCOC2OC(COC(=O)C=Cc3ccc(O)c(O)c3)C(O)C(O)C2O)C1O
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Rosaceae Spiraea cantoniensis Flowers 0.052308% J Nat Prod, 2010, 73, 814-817. 10.1021/np900699e
Properties
HBA 12 HBD 6
HeavyAtoms 37 AlogP -0.34
TPSA 192.44 RotatableBonds 8
FractionCSP3 0.44 Rings 3
AromaticRings 1 AliphaticRings 2