TPCN02626

Name Alpindenoside B
Molecular Formula C32H48O13
Molecular Weight 640.72
CAS Registry Number 1169760-92-2
SMILES CC1OC(OC2C(OC3CCC4(C)C5=C(CCC4C3(C)C)COC(C3=CC(=O)OC3)C5)OC(CO)C(O)C2O)C(O)C(O)C1O
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Zingiberaceae Alpinia shimadae Aerial parts 0.000511% J Nat Prod 72, 1097-1101 (2009). 10.1021/np900019n
Properties
HBA 13 HBD 6
HeavyAtoms 45 AlogP -0.17
TPSA 193.83 RotatableBonds 6
FractionCSP3 0.84 Rings 6
AromaticRings 0 AliphaticRings 6