Glycoside
GD018027
Name:
VISARTISIDE FFormula:
C30H36O13Smiles:
COc1ccc(C=CCO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3OC[C@](O)(COC(=O)C=Cc4ccccc4)[C@H]3O)[C@H]2O)cc1OAglycone:
COC(=O)C=Cc1ccccc1.COc1ccc(C=CCO)cc1OSugarmoiety:
OCC1OC(O)C(O)C(OC2OCC(O)(O)C2O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.43 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 12 |
| MolWt: | 604.61 | Num_heavy_atoms: | 43 |
| TPSA: | 193.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD00648
Formula: C10H10O2
Smiles:
COC(=O)C=Cc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.1 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 2 |
| MolWt: | 162.19 | Num_heavy_atoms: | 12 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
AD12789
Formula: C10H12O3
Smiles:
COc1ccc(C=CCO)cc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 1.41 | Num_rotatable_bonds: | 3 |
| MolWt: | 180.2 | Num_heavy_atoms: | 13 |
| TPSA: | 49.69 | NumAromaticRings: | 1 |
