Glycoside
GD106354
Name:
NoneFormula:
C11H22O13N5P3SSmiles:
CSc1nc(N)c2ncn([C@H]3O[C@@H](CO[PH](O)(O)O[PH](O)(O)OP(=O)(O)O)[C@H](O)[C@@H]3O)c2n1Aglycone:
CO[PH](O)(O)O[PH](O)(O)OP(=O)(O)O.CSc1nc(N)c2c(n1)[N]C=N2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.55 |
| AlogP: | -2.32 | Num_rotatable_bonds: | 9 |
| MolWt: | 557.31 | Num_heavy_atoms: | 33 |
| TPSA: | 285.45 | NumAromaticRings: | 2 |
Unique Aglycone
AD00851
Formula: C6H6N5S
Smiles:
CSc1nc(N)c2c(n1)[N]C=N2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 1 |
| MolWt: | 180.22 | Num_heavy_atoms: | 12 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD40402
Formula: CH11O10P3
Smiles:
CO[PH](O)(O)O[PH](O)(O)OP(=O)(O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | -1.45 | Num_rotatable_bonds: | 5 |
| MolWt: | 276.01 | Num_heavy_atoms: | 14 |
| TPSA: | 166.14 | NumAromaticRings: | 0 |
