Glycoside
GD021254
Name:
NoneFormula:
C14H18O7N8Smiles:
CN(N=O)C(=O)NCCNC(=O)[C@@H]1OC(n2cnc3c(O)ncnc32)[C@H](O)[C@H]1OAglycone:
CN(N=O)C(=O)NCCNC=O.Oc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -2.41 | Num_rotatable_bonds: | 6 |
| MolWt: | 410.35 | Num_heavy_atoms: | 29 |
| TPSA: | 204.39 | NumAromaticRings: | 2 |
Unique Aglycone
AD00956
Formula: C5H3ON4
Smiles:
Oc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 0.09 | Num_rotatable_bonds: | 0 |
| MolWt: | 135.11 | Num_heavy_atoms: | 10 |
| TPSA: | 72.47 | NumAromaticRings: | 1 |
AD06427
Formula: C5H10O3N4
Smiles:
CN(N=O)C(=O)NCCNC=O| HBA: | 7 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 5 |
| MolWt: | 174.16 | Num_heavy_atoms: | 12 |
| TPSA: | 90.87 | NumAromaticRings: | 0 |
