Glycoside
GD093453
Name:
VeronicosideFormula:
C22H26O11Smiles:
O=C(O[C@@H]1[C@@H]2O[C@]2(CO)[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C[C@@H]12)c1ccccc1Aglycone:
O=C(OC1C2C=COC(O)C2C2(CO)OC12)c1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.59 |
| AlogP: | -1.73 | Num_rotatable_bonds: | 6 |
| MolWt: | 466.44 | Num_heavy_atoms: | 33 |
| TPSA: | 167.67 | NumAromaticRings: | 1 |
Unique Aglycone
AD40414
Formula: C16H16O6
Smiles:
O=C(OC1C2C=COC(O)C2C2(CO)OC12)c1ccccc1| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.44 |
| AlogP: | 0.45 | Num_rotatable_bonds: | 3 |
| MolWt: | 304.3 | Num_heavy_atoms: | 22 |
| TPSA: | 88.52 | NumAromaticRings: | 1 |
