Glycoside
GD005134
Name:
NoneFormula:
C17H30O13N5P3S2Smiles:
Nc1nc(SCCCCCCCS)nc2c1ncn2C1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O.Nc1nc(SCCCCCCCS)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.71 |
| AlogP: | 1.34 | Num_rotatable_bonds: | 16 |
| MolWt: | 669.51 | Num_heavy_atoms: | 40 |
| TPSA: | 279.13 | NumAromaticRings: | 2 |
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 |
AD04391
Formula: C12H18N5S2
Smiles:
Nc1nc(SCCCCCCCS)nc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.58 |
| AlogP: | 2.94 | Num_rotatable_bonds: | 8 |
| MolWt: | 296.44 | Num_heavy_atoms: | 19 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
