Glycoside
GD107452
Name:
NoneFormula:
C18H25O16N6P3Smiles:
C[C@H](O[P@](=O)(OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@H](O)[C@@H]1O)O[PH](O)(O)OP(=O)(O)O)c1ccccc1[N+](=O)[O-]Aglycone:
COP(=O)(OC(C)c1ccccc1[N+](=O)[O-])O[PH](O)(O)OP(=O)(O)O.Nc1nc2c(c(=O)[nH]1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.39 |
| AlogP: | -0.35 | Num_rotatable_bonds: | 12 |
| MolWt: | 674.35 | Num_heavy_atoms: | 43 |
| TPSA: | 334.4 | NumAromaticRings: | 3 |
Unique Aglycone
AD00207
Formula: C5H4ON5
Smiles:
Nc1nc2c(c(=O)[nH]1)N=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 98.23 | NumAromaticRings: | 1 |
AD44315
Formula: C9H16O12NP3
Smiles:
COP(=O)(OC(C)c1ccccc1[N+](=O)[O-])O[PH](O)(O)OP(=O)(O)O| HBA: | 13 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 1.95 | Num_rotatable_bonds: | 9 |
| MolWt: | 423.14 | Num_heavy_atoms: | 25 |
| TPSA: | 195.12 | NumAromaticRings: | 1 |
