Glycoside
GD132375
Name:
2-Amino-3-Hydroxy-4-Methylbenzoyl-AmpFormula:
C18H21O9N6PSmiles:
Cc1ccc(C(=O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)c(N)c1OAglycone:
COP(=O)(O)OC(=O)c1ccc(C)c(O)c1N.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.33 |
| AlogP: | -0.4 | Num_rotatable_bonds: | 6 |
| MolWt: | 496.37 | Num_heavy_atoms: | 34 |
| TPSA: | 238.39 | NumAromaticRings: | 3 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD53594
Formula: C9H12O6NP
Smiles:
COP(=O)(O)OC(=O)c1ccc(C)c(O)c1N| HBA: | 7 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.22 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 3 |
| MolWt: | 261.17 | Num_heavy_atoms: | 17 |
| TPSA: | 119.08 | NumAromaticRings: | 1 |
