Glycoside
GD001248
Name:
NoneFormula:
C11H15O9N4PSmiles:
O=P(O)(O)OC[C@@H]1OC(n2cnc3c(O)nc(CO)nc32)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)O.OCc1nc(O)c2c(n1)[N]C=N2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.55 |
| AlogP: | -2.25 | Num_rotatable_bonds: | 5 |
| MolWt: | 378.23 | Num_heavy_atoms: | 25 |
| TPSA: | 200.51 | NumAromaticRings: | 2 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD01288
Formula: C6H5O2N4
Smiles:
OCc1nc(O)c2c(n1)[N]C=N2| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | -0.42 | Num_rotatable_bonds: | 1 |
| MolWt: | 165.13 | Num_heavy_atoms: | 12 |
| TPSA: | 92.7 | NumAromaticRings: | 1 |
