Glycoside
GD014665
Name:
NoneFormula:
C25H31O14N5P2Smiles:
Cc1ccccc1-c1cn([C@@H]2O[C@H](COP(=O)(O)OP(=O)([O-])OC[C@@H]3O[C@H]([n+]4cccc(C(N)=O)c4)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)nn1Aglycone:
COP(=O)([O-])OP(=O)(O)OC.Cc1ccccc1C1=C[N]N=N1.NC(=O)c1ccc[nH+]c1Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.44 |
| AlogP: | -1.8 | Num_rotatable_bonds: | 12 |
| MolWt: | 687.49 | Num_heavy_atoms: | 46 |
| TPSA: | 282.18 | NumAromaticRings: | 3 |
Unique Aglycone
AD00068
Formula: C2H7O7P2
Smiles:
COP(=O)([O-])OP(=O)(O)OC| HBA: | 7 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 4 |
| MolWt: | 205.02 | Num_heavy_atoms: | 11 |
| TPSA: | 105.12 | NumAromaticRings: | 0 |
AD00069
Formula: C6H7ON2
Smiles:
NC(=O)c1ccc[nH+]c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.4 | Num_rotatable_bonds: | 1 |
| MolWt: | 123.13 | Num_heavy_atoms: | 9 |
| TPSA: | 57.23 | NumAromaticRings: | 1 |
AD10759
Formula: C9H8N3
Smiles:
Cc1ccccc1C1=C[N]N=N1| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.11 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 158.18 | Num_heavy_atoms: | 12 |
| TPSA: | 38.82 | NumAromaticRings: | 1 |
