Glycoside
GD003396
Name:
NoneFormula:
C18H25O13N6P3SSmiles:
Nc1ccc(CCSc2nc(N)c3ncn([C@@H]4O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]4O)c3n2)cc1Aglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O.Nc1ccc(CCSc2nc(N)c3c(n2)[N]C=N3)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.39 |
| AlogP: | 0.29 | Num_rotatable_bonds: | 12 |
| MolWt: | 658.42 | Num_heavy_atoms: | 41 |
| TPSA: | 305.15 | NumAromaticRings: | 3 |
Unique Aglycone
AD00534
Formula: CH7O10P3
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 271.98 | Num_heavy_atoms: | 14 |
| TPSA: | 159.82 | NumAromaticRings: | 0 |
AD03089
Formula: C13H13N6S
Smiles:
Nc1ccc(CCSc2nc(N)c3c(n2)[N]C=N3)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.15 |
| AlogP: | 1.89 | Num_rotatable_bonds: | 4 |
| MolWt: | 285.36 | Num_heavy_atoms: | 20 |
| TPSA: | 104.28 | NumAromaticRings: | 2 |
