Glycoside
GD025012
Name:
NoneFormula:
C18H20O10N5PSmiles:
Nc1nc2c(c(=O)[nH]1)[n+](Cc1ccc(C(=O)O)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+](Cc1ccc(C(=O)O)cc1)=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.33 |
| AlogP: | -2.56 | Num_rotatable_bonds: | 7 |
| MolWt: | 497.36 | Num_heavy_atoms: | 34 |
| TPSA: | 237.16 | 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 |
AD16631
Formula: C13H11O3N5
Smiles:
Nc1nc2c(c(=O)[nH]1)[N+](Cc1ccc(C(=O)O)cc1)=C[N]2| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.08 |
| AlogP: | 0.17 | Num_rotatable_bonds: | 3 |
| MolWt: | 285.26 | Num_heavy_atoms: | 21 |
| TPSA: | 126.18 | NumAromaticRings: | 2 |
