Glycoside
GD027528
Name:
NoneFormula:
C11H13O6N7Smiles:
O=NNC(=O)NC[C@@H]1OC(n2cnc3c(O)ncnc32)[C@H](O)[C@H]1OAglycone:
CNC(=O)NN=O.Oc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | -1.87 | Num_rotatable_bonds: | 4 |
| MolWt: | 339.27 | Num_heavy_atoms: | 24 |
| TPSA: | 184.08 | 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 |
AD18084
Formula: C2H5O2N3
Smiles:
CNC(=O)NN=O| HBA: | 5 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | -0.4 | Num_rotatable_bonds: | 1 |
| MolWt: | 103.08 | Num_heavy_atoms: | 7 |
| TPSA: | 70.56 | NumAromaticRings: | 0 |
