Glycoside
GD158090
Name:
Riparoside BFormula:
C51H84O24Smiles:
CC(=O)OC1C(OC(=O)CCC(C)COC2OC(CO)C(O)C(O)C2O)CC2C3CCC4CC(OC5OC(COC6OC(C)C(O)C(O)C6O)C(O)C(O)C5OC5OC(C)C(O)C(O)C5O)CCC4(C)C3CCC21CAglycone:
CC(=O)OC1C(OC(=O)CCC(C)CO)CC2C3CCC4CC(O)CCC4(C)C3CCC21CSugarmoiety:
CC1OC(OCC2OC(O)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 8 |
| HBD: | 12 | FractionCSP3: | 0.96 |
| AlogP: | -2.4 | Num_rotatable_bonds: | 16 |
| MolWt: | 1081.21 | Num_heavy_atoms: | 75 |
| TPSA: | 369.2 | NumAromaticRings: | 0 |
Unique Aglycone
AD62428
Formula: C27H44O6
Smiles:
CC(=O)OC1C(OC(=O)CCC(C)CO)CC2C3CCC4CC(O)CCC4(C)C3CCC21C| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 4.25 | Num_rotatable_bonds: | 6 |
| MolWt: | 464.64 | Num_heavy_atoms: | 33 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
