TPCN04019
Name | Sckbioskponins K |
Molecular Formula | C64H104O31 |
Molecular Weight | 1369.51 |
CAS Registry Number | 689257-74-7 |
SMILES | CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC=C4C6C(O)C(C)(C)CCC6(C(=O)OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6O)CCC45C)C3(C)C)OCC(O)C2O)C(O)C(OC2OCC(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C1O |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Caprifoliaceae | Scabiosa tschiliensis | Whole plants | 0.000142% | J Nat Prod 67, 604-613 (2004). | 10.1021/np0304722 |
Properties
HBA | 31 | HBD | 18 |
HeavyAtoms | 95 | AlogP | -5.11 |
TPSA | 491.97 | RotatableBonds | 15 |
FractionCSP3 | 0.95 | Rings | 11 |
AromaticRings | 0 | AliphaticRings | 11 |