Glycoside
GD037099
Name:
NoneFormula:
C13H17O7N8PSmiles:
C[n+]1cn([C@@H]2O[C@H](Cn3cc(P(=O)([O-])O)nn3)[C@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c21Aglycone:
C[N+]1=C[N]c2nc(N)[nH]c(=O)c21.Cn1cc(P(=O)([O-])O)nn1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.46 |
| AlogP: | -4.79 | Num_rotatable_bonds: | 4 |
| MolWt: | 428.3 | Num_heavy_atoms: | 29 |
| TPSA: | 221.34 | NumAromaticRings: | 3 |
Unique Aglycone
AD02176
Formula: C6H7ON5
Smiles:
C[N+]1=C[N]c2nc(N)[nH]c(=O)c21| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.17 |
| AlogP: | -1.1 | Num_rotatable_bonds: | 0 |
| MolWt: | 165.16 | Num_heavy_atoms: | 12 |
| TPSA: | 88.88 | NumAromaticRings: | 1 |
AD23395
Formula: C3H5O3N3P
Smiles:
Cn1cc(P(=O)([O-])O)nn1| HBA: | 6 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | -2.01 | Num_rotatable_bonds: | 1 |
| MolWt: | 162.07 | Num_heavy_atoms: | 10 |
| TPSA: | 91.07 | NumAromaticRings: | 1 |
