TPCN04953

Name Compound 2
Molecular Formula C46H74O19
Molecular Weight 931.08
CAS Registry Number 351405-70-4
SMILES CC1C2C3=CCC4C5(C)CC(O)C(OC6OCC(O)C(OC7OCC(O)C(O)C7O)C6O)C(C)(CO)C5CCC4(C)C3(C)CCC2(C(=O)OC2OC(CO)C(O)C(O)C2O)CCC1(C)O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Araliaceae Tupidanthus calyptratus Aerial parts 0.003750% J Nat Prod 64, 750-753 (2001) 10.1021/np000375y
Properties
HBA 19 HBD 12
HeavyAtoms 65 AlogP -1.67
TPSA 315.21 RotatableBonds 8
FractionCSP3 0.93 Rings 8
AromaticRings 0 AliphaticRings 8