TPCN01024

Name 11??,13-dihydrocostunolide-14-O-??-D-glucopyranoside
Molecular Formula C21H32O8
Molecular Weight 412.48
CAS Registry Number 1013428-27-7
SMILES CC1=CC2OC(=O)C(C)C2CCC(COC2OC(CO)C(O)C(O)C2O)=CCC1
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Celastraceae Staehelina fruticosa Aerial parts 0.003727% J Nat Prod 71(5): 847-851.(2008) 10.1021/np070252e
Properties
HBA 8 HBD 4
HeavyAtoms 29 AlogP 0.43
TPSA 125.68 RotatableBonds 4
FractionCSP3 0.76 Rings 3
AromaticRings 0 AliphaticRings 3