Glycoside
GD128910
Name:
Rivaloside AFormula:
C44H68O16Smiles:
CC(=O)OC1CC2(C)C(CCC3(C)C2CC=C2C4C(=O)C(C)(C)CCC4(C(=O)OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)CCC23C)C(C)(C)C1OAglycone:
CC(=O)OC1CC2(C)C(CCC3(C)C2CC=C2C4C(=O)C(C)(C)CCC4(C(=O)O)CCC23C)C(C)(C)C1OSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.89 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 7 |
| MolWt: | 853.01 | Num_heavy_atoms: | 60 |
| TPSA: | 259.2 | NumAromaticRings: | 0 |
Unique Aglycone
AD52215
Formula: C32H48O6
Smiles:
CC(=O)OC1CC2(C)C(CCC3(C)C2CC=C2C4C(=O)C(C)(C)CCC4(C(=O)O)CCC23C)C(C)(C)C1O| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.84 |
| AlogP: | 5.95 | Num_rotatable_bonds: | 2 |
| MolWt: | 528.73 | Num_heavy_atoms: | 38 |
| TPSA: | 100.9 | NumAromaticRings: | 0 |
