Glycoside
GD017690
Name:
NoneFormula:
C18H21O9N5PBrSmiles:
Nc1nc2c(c(=O)[nH]1)[n+](CCOc1ccc(Br)cc1)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+](CCOc1ccc(Br)cc1)=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.39 |
| AlogP: | -1.47 | Num_rotatable_bonds: | 8 |
| MolWt: | 562.27 | Num_heavy_atoms: | 34 |
| TPSA: | 209.09 | NumAromaticRings: | 3 |
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 |
AD12605
Formula: C13H12O2N5Br
Smiles:
Nc1nc2c(c(=O)[nH]1)[N+](CCOc1ccc(Br)cc1)=C[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.15 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 4 |
| MolWt: | 350.18 | Num_heavy_atoms: | 21 |
| TPSA: | 98.11 | NumAromaticRings: | 2 |
