Glycoside
GD024037
Name:
NoneFormula:
C26H34O12N2Smiles:
COc1ccc(O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](NC(=O)Nc4ccccc4)[C@H]3O)[C@H](O)[C@H]2O)cc1Aglycone:
COc1ccc(O)cc1.NC(=O)Nc1ccccc1Sugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.5 |
| AlogP: | -1.47 | Num_rotatable_bonds: | 9 |
| MolWt: | 566.56 | Num_heavy_atoms: | 40 |
| TPSA: | 208.66 | NumAromaticRings: | 2 |
Unique Aglycone
AD01111
Formula: C7H8O2
Smiles:
COc1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 1 |
| MolWt: | 124.14 | Num_heavy_atoms: | 9 |
| TPSA: | 29.46 | NumAromaticRings: | 1 |
AD16093
Formula: C7H8ON2
Smiles:
NC(=O)Nc1ccccc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 55.12 | NumAromaticRings: | 1 |
