TPCN04295

Name Tomentoside B
Molecular Formula C47H76O17
Molecular Weight 913.11
CAS Registry Number 503302-08-7
SMILES CC1OC(OC2CCC3(C)C4CCC5=C(CCC6(C(=O)OC7OC(CO)C(O)C(O)C7O)CCC(C)(C)CC56)C4(C)CCC3C2(C)C)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Rubiaceae Uncaria tomentosa Stems 0.004395% J Nat Prod . 2003 Feb;66(2):320-3 10.1021/np0203741
Ranunculaceae Clematis uncinata Roots 0.002050% J Asian Nat Prod Res 17(12): 1153-1159. 10.1080/10286020.2015.1117453
Properties
HBA 17 HBD 10
HeavyAtoms 64 AlogP 0.92
TPSA 274.75 RotatableBonds 8
FractionCSP3 0.94 Rings 8
AromaticRings 0 AliphaticRings 8