Glycoside
GD009260
Name:
NoneFormula:
C21H26O18N9P3Smiles:
[N-]=[N+]=Nc1nc2c(N)ncnc2n1[C@@H]1O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@@H]2O[C@H]([n+]3cccc(C(=O)O)c3)[C@H](O)[C@H]2O)[C@H](O)[C@H]1OP(=O)(O)OAglycone:
COP(=O)([O-])OP(=O)(O)OC.O=C(O)c1ccc[nH+]c1.O=P(O)(O)O.[N-]=[N+]=NC1=Nc2c(N)ncnc2[N]1Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 27 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.48 |
| AlogP: | -1.99 | Num_rotatable_bonds: | 14 |
| MolWt: | 785.41 | Num_heavy_atoms: | 51 |
| TPSA: | 410.59 | NumAromaticRings: | 3 |
Unique Aglycone
AD00019
Formula: H3O4P
Smiles:
O=P(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 0 |
| MolWt: | 97.99 | Num_heavy_atoms: | 5 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
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 |
AD01127
Formula: C6H6O2N
Smiles:
O=C(O)c1ccc[nH+]c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.2 | Num_rotatable_bonds: | 1 |
| MolWt: | 124.12 | Num_heavy_atoms: | 9 |
| TPSA: | 51.44 | NumAromaticRings: | 1 |
AD03673
Formula: C5H3N8
Smiles:
[N-]=[N+]=NC1=Nc2c(N)ncnc2[N]1| HBA: | 8 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.61 | Num_rotatable_bonds: | 0 |
| MolWt: | 175.14 | Num_heavy_atoms: | 13 |
| TPSA: | 127.02 | NumAromaticRings: | 1 |
