Glycoside
GD049729
Name:
NoneFormula:
C13H22O7N2Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)[C@H]2C[C@@H]2C(N)=O)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
NC(=O)C1CC1C(=O)NCCOSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.85 |
| AlogP: | -2.93 | Num_rotatable_bonds: | 6 |
| MolWt: | 318.33 | Num_heavy_atoms: | 22 |
| TPSA: | 151.34 | NumAromaticRings: | 0 |
Unique Aglycone
AD26318
Formula: C7H12O3N2
Smiles:
NC(=O)C1CC1C(=O)NCCO| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.71 |
| AlogP: | -1.78 | Num_rotatable_bonds: | 4 |
| MolWt: | 172.18 | Num_heavy_atoms: | 12 |
| TPSA: | 92.42 | NumAromaticRings: | 0 |
