Glycoside
GD014299
Name:
NoneFormula:
C13H20O7N4Smiles:
CC(=O)N[C@@H]1[C@H](NC(=N)N)C=C(C(=O)O)O[C@H]1[C@@H]1OC[C@H](O)[C@H]1OAglycone:
CC(=O)NC1COC(C(=O)O)=CC1NC(=N)NSugarmoiety:
OC1COC(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.62 |
| AlogP: | -3.17 | Num_rotatable_bonds: | 4 |
| MolWt: | 344.32 | Num_heavy_atoms: | 24 |
| TPSA: | 187.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD10534
Formula: C9H14O4N4
Smiles:
CC(=O)NC1COC(C(=O)O)=CC1NC(=N)N| HBA: | 8 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.44 |
| AlogP: | -1.66 | Num_rotatable_bonds: | 3 |
| MolWt: | 242.24 | Num_heavy_atoms: | 17 |
| TPSA: | 137.53 | NumAromaticRings: | 0 |
