Glycoside
GD015209
Name:
NoneFormula:
C13H18O9N5PSmiles:
CCOC(=O)P(=O)(O)OC[C@@H]1OC(n2cnc3c(O)nc(N)nc32)[C@H](O)[C@H]1OAglycone:
CCOC(=O)P(=O)(O)OC.Nc1nc(O)c2c(n1)[N]C=N2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.54 |
| AlogP: | -0.91 | Num_rotatable_bonds: | 6 |
| MolWt: | 419.29 | Num_heavy_atoms: | 28 |
| TPSA: | 212.37 | 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 |
AD02494
Formula: C4H9O5P
Smiles:
CCOC(=O)P(=O)(O)OC| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 0.97 | Num_rotatable_bonds: | 3 |
| MolWt: | 168.09 | Num_heavy_atoms: | 10 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
