Glycoside
GD015592
Name:
NoneFormula:
C20H19O9N5PClSmiles:
Nc1nc2c(c(=O)[nH]1)[n+](Cc1cc3cc(Cl)ccc3o1)cn2[C@@H]1O[C@H](COP(=O)([O-])O)[C@H](O)[C@H]1OAglycone:
COP(=O)([O-])O.Nc1nc2c(c(=O)[nH]1)[N+](Cc1cc3cc(Cl)ccc3o1)=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.32 |
| AlogP: | -0.86 | Num_rotatable_bonds: | 6 |
| MolWt: | 527.81 | Num_heavy_atoms: | 35 |
| TPSA: | 213.0 | NumAromaticRings: | 4 |
Unique Aglycone
AD00397
Formula: CH4O4P
Smiles:
COP(=O)([O-])O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.91 | Num_rotatable_bonds: | 1 |
| MolWt: | 111.01 | Num_heavy_atoms: | 6 |
| TPSA: | 69.59 | NumAromaticRings: | 0 |
AD11315
Formula: C15H10O2N5Cl
Smiles:
Nc1nc2c(c(=O)[nH]1)[N+](Cc1cc3cc(Cl)ccc3o1)=C[N]2| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.07 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 2 |
| MolWt: | 315.72 | Num_heavy_atoms: | 22 |
| TPSA: | 102.02 | NumAromaticRings: | 3 |
