Glycoside
GD142143
Name:
Hydrocotyloside ViiFormula:
C57H92O26Smiles:
CC(=O)OC1C(OC(C)=O)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(COC7OCC(O)C(O)C7O)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2CC1(C)CAglycone:
CC(=O)OC1C(OC(C)=O)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2CC1(C)CSugarmoiety:
OCC1OC(OC2C(O)OC(COC3OCC(O)C(O)C3O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 26 | RingCount: | 9 |
| HBD: | 14 | FractionCSP3: | 0.93 |
| AlogP: | -2.87 | Num_rotatable_bonds: | 14 |
| MolWt: | 1193.34 | Num_heavy_atoms: | 83 |
| TPSA: | 409.66 | NumAromaticRings: | 0 |
Unique Aglycone
AD44938
Formula: C34H54O7
Smiles:
CC(=O)OC1C(OC(C)=O)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2CC1(C)C| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.88 |
| AlogP: | 5.2 | Num_rotatable_bonds: | 3 |
| MolWt: | 574.8 | Num_heavy_atoms: | 41 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
