Glycoside
GD139765
Name:
Thalictoside DFormula:
C60H100O28Smiles:
CC1OC(OCC2OC(OC3CCC45CC46CCC4(C)C(C7C(OC8OC(CO)C(O)C(O)C8OC8OC(CO)C(O)C(O)C8O)CC(C(C)(C)O)C7O)CCC4(C)C6CCC5C3(C)CO)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OAglycone:
CC(C)(O)C1CC(O)C(C2CCC3(C)C4CCC5C(C)(CO)C(O)CCC56CC46CCC23C)C1OSugarmoiety:
CC1OC(OCC2OC(O)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 28 | RingCount: | 11 |
| HBD: | 18 | FractionCSP3: | 1.0 |
| AlogP: | -4.94 | Num_rotatable_bonds: | 16 |
| MolWt: | 1269.43 | Num_heavy_atoms: | 88 |
| TPSA: | 456.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD56363
Formula: C30H50O5
Smiles:
CC(C)(O)C1CC(O)C(C2CCC3(C)C4CCC5C(C)(CO)C(O)CCC56CC46CCC23C)C1O| HBA: | 5 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 3.89 | Num_rotatable_bonds: | 3 |
| MolWt: | 490.73 | Num_heavy_atoms: | 35 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
Sugarmoiety
SD08495
CC1OC(OCC2OC(O)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O