Glycoside
GD009285
Name:
NoneFormula:
C17H18O10N5PSSmiles:
O=[N+]([O-])c1cccc(CSc2nc(O)c3ncn(C4O[C@H](COP(=O)(O)O)[C@H](O)[C@H]4O)c3n2)c1Aglycone:
COP(=O)(O)O.O=[N+]([O-])c1cccc(CSc2nc(O)c3c(n2)[N]C=N3)c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | 0.46 | Num_rotatable_bonds: | 8 |
| MolWt: | 515.4 | Num_heavy_atoms: | 34 |
| TPSA: | 223.42 | 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 |
AD07294
Formula: C12H8O3N5S
Smiles:
O=[N+]([O-])c1cccc(CSc2nc(O)c3c(n2)[N]C=N3)c1| HBA: | 8 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 4 |
| MolWt: | 302.29 | Num_heavy_atoms: | 21 |
| TPSA: | 115.61 | NumAromaticRings: | 2 |
