Glycoside
GD003611
Name:
NoneFormula:
C17H20O7N5PSmiles:
Nc1nc2c(c(=O)[nH]1)[n+](Cc1ccccc1)cn2[C@@H]1O[C@H](CO[PH](=O)[O-])[C@H](O)[C@H]1OAglycone:
CO[PH](=O)[O-].Nc1nc2c(c(=O)[nH]1)[N+](Cc1ccccc1)=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | -1.97 | Num_rotatable_bonds: | 6 |
| MolWt: | 437.35 | Num_heavy_atoms: | 30 |
| TPSA: | 179.63 | NumAromaticRings: | 3 |
Unique Aglycone
AD02899
Formula: CH4O3P
Smiles:
CO[PH](=O)[O-]| HBA: | 3 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | -0.62 | Num_rotatable_bonds: | 1 |
| MolWt: | 95.01 | Num_heavy_atoms: | 5 |
| TPSA: | 49.36 | NumAromaticRings: | 0 |
AD03263
Formula: C12H11ON5
Smiles:
Nc1nc2c(c(=O)[nH]1)[N+](Cc1ccccc1)=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.08 |
| AlogP: | 0.47 | Num_rotatable_bonds: | 2 |
| MolWt: | 241.25 | Num_heavy_atoms: | 18 |
| TPSA: | 88.88 | NumAromaticRings: | 2 |
