Glycoside
GD028500
Name:
NoneFormula:
C11H15O8N6PSmiles:
NC(=O)P(=O)(O)OC[C@@H]1OC(n2cnc3c(O)nc(N)nc32)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)C(N)=O.Nc1nc(O)c2c(n1)[N]C=N2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.45 |
| AlogP: | -1.99 | Num_rotatable_bonds: | 5 |
| MolWt: | 390.25 | Num_heavy_atoms: | 26 |
| TPSA: | 229.16 | NumAromaticRings: | 2 |
Unique Aglycone
AD00080
Formula: C5H4ON5
Smiles:
Nc1nc(O)c2c(n1)[N]C=N2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.33 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 98.49 | NumAromaticRings: | 1 |
AD12751
Formula: C2H6O4NP
Smiles:
COP(=O)(O)C(N)=O| HBA: | 5 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | -0.1 | Num_rotatable_bonds: | 2 |
| MolWt: | 139.05 | Num_heavy_atoms: | 8 |
| TPSA: | 89.62 | NumAromaticRings: | 0 |
