Glycoside
GD157321
Name:
Verbesinoside DFormula:
C58H84O21Smiles:
COc1cc(C=CC(=O)OC2CC3(C(=O)O)CC4CC45C(=CCC4C6(C)CCC(OC7OC(CO)C(O)C(O)C7OC7OCC(OC8OCC(O)C(O)C8O)C(O)C7O)C(C)(C)C6CCC45C)C3CC2(C)C)cc(OC)c1OCAglycone:
COc1cc(C=CC(=O)OC2CC3(C(=O)O)CC4CC45C(=CCC4C6(C)CCC(O)C(C)(C)C6CCC45C)C3CC2(C)C)cc(OC)c1OCSugarmoiety:
OCC1OC(O)C(OC2OCC(OC3OCC(O)C(O)C3O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 10 |
| HBD: | 9 | FractionCSP3: | 0.79 |
| AlogP: | 2.86 | Num_rotatable_bonds: | 14 |
| MolWt: | 1117.29 | Num_heavy_atoms: | 79 |
| TPSA: | 308.51 | NumAromaticRings: | 1 |
Unique Aglycone
AD62208
Formula: C42H58O8
Smiles:
COc1cc(C=CC(=O)OC2CC3(C(=O)O)CC4CC45C(=CCC4C6(C)CCC(O)C(C)(C)C6CCC45C)C3CC2(C)C)cc(OC)c1OC| HBA: | 8 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.71 |
| AlogP: | 8.1 | Num_rotatable_bonds: | 7 |
| MolWt: | 690.92 | Num_heavy_atoms: | 50 |
| TPSA: | 111.52 | NumAromaticRings: | 1 |
