Glycoside
GD141795
Name:
2alpha-hydroxy-28-[(alpha-l-rhamnopyranosyl)oxy]lup-20(29)-en-3b-yl o-alp+Formula:
C57H94O24Smiles:
C=C(C)C1CCC2(COC3OC(C)C(O)C(O)C3O)CCC3(C)C(CCC4C5(C)CC(O)C(OC6OC(CO)C(OC7OCC(O)C(O)C7O)C(O)C6OC6OCC(OC7OCC(O)C(O)C7O)C(O)C6O)C(C)(C)C5CCC43C)C12Aglycone:
C=C(C)C1CCC2(CO)CCC3(C)C(CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC43C)C12Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(OC2OCC(OC3OCC(O)C(O)C3O)C(O)C2O)C(O)C1OC1OCC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 10 |
| HBD: | 14 | FractionCSP3: | 0.96 |
| AlogP: | -1.97 | Num_rotatable_bonds: | 13 |
| MolWt: | 1163.36 | Num_heavy_atoms: | 81 |
| TPSA: | 375.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD57093
Formula: C30H50O3
Smiles:
C=C(C)C1CCC2(CO)CCC3(C)C(CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC43C)C12| HBA: | 3 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 5.97 | Num_rotatable_bonds: | 2 |
| MolWt: | 458.73 | Num_heavy_atoms: | 33 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
Sugarmoiety
SD08757
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(OC2OCC(OC3OCC(O)C(O)C3O)C(O)C2O)C(O)C1OC1OCC(O)C(O)C1O