Glycoside
GD107144
Name:
NoneFormula:
C28H36O9N2Smiles:
CC(=O)N[C@H]1[C@H](O[C@H](C)C(=O)N[C@@H](C)C(=O)OCc2ccccc2)[C@H](O)[C@H](CO)O[C@H]1OCc1ccccc1Aglycone:
CC(O)C(=O)NC(C)C(=O)OCc1ccccc1.OCc1ccccc1Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.46 |
| AlogP: | 0.81 | Num_rotatable_bonds: | 12 |
| MolWt: | 544.6 | Num_heavy_atoms: | 39 |
| TPSA: | 152.65 | NumAromaticRings: | 2 |
Unique Aglycone
AD00044
Formula: C7H8O
Smiles:
OCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD44281
Formula: C13H17O4N
Smiles:
CC(O)C(=O)NC(C)C(=O)OCc1ccccc1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.38 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 5 |
| MolWt: | 251.28 | Num_heavy_atoms: | 18 |
| TPSA: | 75.63 | NumAromaticRings: | 1 |
