Glycoside
GD002895
Name:
NoneFormula:
C19H24O9N5PSmiles:
COc1ccc(CNc2nc3c(c(=O)[nH]2)[n+](C)cn3[C@@H]2O[C@H](COP(=O)([O-])O)[C@H](O)[C@H]2O)cc1Aglycone:
COP(=O)([O-])O.COc1ccc(CNc2nc3c(c(=O)[nH]2)[N+](C)=C[N]3)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | -1.73 | Num_rotatable_bonds: | 8 |
| MolWt: | 497.4 | Num_heavy_atoms: | 34 |
| TPSA: | 195.1 | 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 |
AD02703
Formula: C14H15O2N5
Smiles:
COc1ccc(CNc2nc3c(c(=O)[nH]2)[N+](C)=C[N]3)cc1| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.21 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 4 |
| MolWt: | 285.31 | Num_heavy_atoms: | 21 |
| TPSA: | 84.12 | NumAromaticRings: | 2 |
