Glycoside
GD010586
Name:
NoneFormula:
C12H19O7N3Smiles:
OC[C@@H]1O[C@H](n2cc(COCC3CO3)nn2)[C@H](O)[C@H](O)[C@H]1OAglycone:
C1=C(COCC2CO2)N=N[N]1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.83 |
| AlogP: | -2.83 | Num_rotatable_bonds: | 6 |
| MolWt: | 317.3 | Num_heavy_atoms: | 22 |
| TPSA: | 142.62 | NumAromaticRings: | 1 |
Unique Aglycone
AD08153
Formula: C6H8O2N3
Smiles:
C1=C(COCC2CO2)N=N[N]1| HBA: | 5 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.23 | Num_rotatable_bonds: | 4 |
| MolWt: | 154.15 | Num_heavy_atoms: | 11 |
| TPSA: | 60.58 | NumAromaticRings: | 0 |
