TPCN01802

Name Cleomiscosin A
Molecular Formula C20H18O8
Molecular Weight 386.36
CAS Registry Number 76948-72-6
SMILES COc1cc(C2Oc3c(OC)cc4ccc(=O)oc4c3OC2CO)ccc1O
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Malvaceae Abelmoschus sagittifolius Stems 0.000105% Nat Prod Res 33(12): 1699-1704.(2019) 10.1080/14786419.2018.1431635
Properties
HBA 8 HBD 2
HeavyAtoms 28 AlogP 2.39
TPSA 107.59 RotatableBonds 4
FractionCSP3 0.25 Rings 4
AromaticRings 3 AliphaticRings 1