Glycoside
GD005668
Name:
NoneFormula:
C23H25O10N4PSmiles:
Nc1ccn([C@@H]2O[C@H](CNC(=O)OC(c3cccc(Oc4ccccc4)c3)P(=O)(O)O)[C@H](O)[C@H]2O)c(=O)n1Aglycone:
CNC(=O)OC(c1cccc(Oc2ccccc2)c1)P(=O)(O)O.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.26 |
| AlogP: | 0.84 | Num_rotatable_bonds: | 8 |
| MolWt: | 548.45 | Num_heavy_atoms: | 38 |
| TPSA: | 215.69 | NumAromaticRings: | 3 |
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 |
AD04778
Formula: C15H16O6NP
Smiles:
CNC(=O)OC(c1cccc(Oc2ccccc2)c1)P(=O)(O)O| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.13 |
| AlogP: | 3.01 | Num_rotatable_bonds: | 5 |
| MolWt: | 337.27 | Num_heavy_atoms: | 23 |
| TPSA: | 105.09 | NumAromaticRings: | 2 |
