Glycoside
GD058247
Name:
NoneFormula:
C12H17O8N3Smiles:
CN1C(=O)NC(=O)/C(=C\N[C@H]2[C@@H](O)O[C@@H](CO)[C@@H](O)[C@@H]2O)C1=OAglycone:
CN1C(=O)NC(=O)C(=CN)C1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.58 |
| AlogP: | -4.03 | Num_rotatable_bonds: | 3 |
| MolWt: | 331.28 | Num_heavy_atoms: | 23 |
| TPSA: | 168.66 | NumAromaticRings: | 0 |
Unique Aglycone
AD29156
Formula: C6H7O3N3
Smiles:
CN1C(=O)NC(=O)C(=CN)C1=O| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.17 |
| AlogP: | -1.46 | Num_rotatable_bonds: | 0 |
| MolWt: | 169.14 | Num_heavy_atoms: | 12 |
| TPSA: | 92.5 | NumAromaticRings: | 0 |
