Glycoside
GD023167
Name:
NoneFormula:
C17H17O12N6PSSmiles:
O=[N+]([O-])c1cc(CSc2nc(O)c3ncn(C4O[C@H](COP(=O)(O)O)[C@H](O)[C@H]4O)c3n2)cc([N+](=O)[O-])c1Aglycone:
COP(=O)(O)O.O=[N+]([O-])c1cc(CSc2nc(O)c3c(n2)[N]C=N3)cc([N+](=O)[O-])c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | 0.37 | Num_rotatable_bonds: | 9 |
| MolWt: | 560.39 | Num_heavy_atoms: | 37 |
| TPSA: | 266.56 | NumAromaticRings: | 3 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD15611
Formula: C12H7O5N6S
Smiles:
O=[N+]([O-])c1cc(CSc2nc(O)c3c(n2)[N]C=N3)cc([N+](=O)[O-])c1| HBA: | 11 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 2.2 | Num_rotatable_bonds: | 5 |
| MolWt: | 347.29 | Num_heavy_atoms: | 24 |
| TPSA: | 158.75 | NumAromaticRings: | 2 |
