Glycoside
GD136114
Name:
Verbesinoside FFormula:
C55H78O18Smiles:
CC1(C)CC2C3=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6OC6OCC(OC7OCC(O)C(O)C7O)C(O)C6O)C(C)(C)C5CCC4(C)C34CC4CC2(C(=O)O)CC1OC(=O)C=Cc1ccccc1Aglycone:
CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C34CC4CC2(C(=O)O)CC1OC(=O)C=Cc1ccccc1Sugarmoiety:
OCC1OC(O)C(OC2OCC(OC3OCC(O)C(O)C3O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 10 |
| HBD: | 9 | FractionCSP3: | 0.78 |
| AlogP: | 2.83 | Num_rotatable_bonds: | 11 |
| MolWt: | 1027.21 | Num_heavy_atoms: | 73 |
| TPSA: | 280.82 | NumAromaticRings: | 1 |
Unique Aglycone
AD55018
Formula: C39H52O5
Smiles:
CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C34CC4CC2(C(=O)O)CC1OC(=O)C=Cc1ccccc1| HBA: | 5 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.69 |
| AlogP: | 8.08 | Num_rotatable_bonds: | 4 |
| MolWt: | 600.84 | Num_heavy_atoms: | 44 |
| TPSA: | 83.83 | NumAromaticRings: | 1 |
