TPCN01768

Name 2??,7,3trihydroxycalamenene 3-O-??-D-glucoside
Molecular Formula C21H32O8
Molecular Weight 412.48
CAS Registry Number 2222821-02-3
SMILES Cc1cc2c(cc1O)C(C)C(O)C(OC1OC(CO)C(O)C(O)C1O)C2C(C)C
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Malvaceae Abelmoschus sagittifolius Stems 0.000130% Nat Prod Res 33(12): 1699-1704.(2019) 10.1080/14786419.2018.1431635
Properties
HBA 8 HBD 6
HeavyAtoms 29 AlogP 0.10
TPSA 139.84 RotatableBonds 4
FractionCSP3 0.71 Rings 3
AromaticRings 1 AliphaticRings 2