Glycoside
GD057624
Name:
NoneFormula:
C16H22O6N2Smiles:
O=C(N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)[C@H](c1ccccn1)C1CC1Aglycone:
NC(=O)C(c1ccccn1)C1CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -1.51 | Num_rotatable_bonds: | 5 |
| MolWt: | 338.36 | Num_heavy_atoms: | 24 |
| TPSA: | 132.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD28910
Formula: C10H12ON2
Smiles:
NC(=O)C(c1ccccn1)C1CC1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 1.06 | Num_rotatable_bonds: | 3 |
| MolWt: | 176.22 | Num_heavy_atoms: | 13 |
| TPSA: | 55.98 | NumAromaticRings: | 1 |
