TPCN05054

Name Compound 4
Molecular Formula C58H94O26
Molecular Weight 1207.36
CAS Registry Number 351405-72-6
SMILES CC1OC(OC2C(O)C(C)OC(OCC3OC(OC(=O)C45CCC(C)(O)C(C)C4C4=CCC6C7(C)CCC(OC8OCC(O)C(OC9OCC(O)C(O)C9O)C8O)C(C)(CO)C7CCC6(C)C4(C)CC5)C(O)C(O)C3O)C2O)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Araliaceae Tupidanthus calyptratus Aerial parts 0.000792% J Nat Prod 64, 750-753 (2001) 10.1021/np000375y
Properties
HBA 26 HBD 15
HeavyAtoms 84 AlogP -2.93
TPSA 412.82 RotatableBonds 12
FractionCSP3 0.95 Rings 10
AromaticRings 0 AliphaticRings 10