Glycoside
GD035342
Name:
NoneFormula:
C10H14O7N3PSmiles:
C[C@@H]1O[C@H](n2ccc(N)nc2=O)[C@H](O)[C@H]1OCP(=O)([O-])[O-]Aglycone:
Nc1cc[nH]c(=O)n1.O=P([O-])([O-])COSugarmoiety:
CC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.6 |
| AlogP: | -2.64 | Num_rotatable_bonds: | 4 |
| MolWt: | 319.21 | Num_heavy_atoms: | 21 |
| TPSA: | 162.79 | NumAromaticRings: | 1 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
AD20701
Formula: CH3O4P
Smiles:
O=P([O-])([O-])CO| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -2.15 | Num_rotatable_bonds: | 1 |
| MolWt: | 110.0 | Num_heavy_atoms: | 6 |
| TPSA: | 83.42 | NumAromaticRings: | 0 |
