Glycoside
GD008298
Name:
NoneFormula:
C10H14O8N3PSmiles:
Nc1ccn([C@@H]2O[C@H]([C@H](O)CP(=O)([O-])[O-])[C@H](O)[C@H]2O)c(=O)n1Aglycone:
Nc1cc[nH]c(=O)n1.O=P([O-])([O-])CCOSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.6 |
| AlogP: | -4.28 | Num_rotatable_bonds: | 4 |
| MolWt: | 335.21 | Num_heavy_atoms: | 22 |
| TPSA: | 194.02 | 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 |
AD01805
Formula: C2H5O4P
Smiles:
O=P([O-])([O-])CCO| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -2.11 | Num_rotatable_bonds: | 2 |
| MolWt: | 124.03 | Num_heavy_atoms: | 7 |
| TPSA: | 83.42 | NumAromaticRings: | 0 |
