Glycoside
GD115480
Name:
Russelioside HFormula:
C55H88O21Smiles:
CC=C(C)C(=O)OC1CC2C(CC=C3CC(OC4CC(OC)C(OC5CC(OC)C(OC6OC(C)C(OC7OC(CO)C(O)C(O)C7O)C(OC)C6O)C(C)O5)C(C)O4)CCC32C)C2(O)CCC(C(C)OC(C)=O)C12CAglycone:
CC=C(C)C(=O)OC1CC2C(CC=C3CC(O)CCC32C)C2(O)CCC(C(C)OC(C)=O)C12CSugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2OC(C)C(OC3OC(CO)C(O)C(O)C3O)C(OC)C2O)C(C)O1Other Identifiers
Properties
| HBA: | 21 | RingCount: | 8 |
| HBD: | 6 | FractionCSP3: | 0.89 |
| AlogP: | 2.88 | Num_rotatable_bonds: | 16 |
| MolWt: | 1085.29 | Num_heavy_atoms: | 76 |
| TPSA: | 275.51 | NumAromaticRings: | 0 |
Unique Aglycone
AD45690
Formula: C28H42O6
Smiles:
CC=C(C)C(=O)OC1CC2C(CC=C3CC(O)CCC32C)C2(O)CCC(C(C)OC(C)=O)C12C| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.79 |
| AlogP: | 4.48 | Num_rotatable_bonds: | 4 |
| MolWt: | 474.64 | Num_heavy_atoms: | 34 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
