Glycoside
GD029952
Name:
NoneFormula:
C17H22O12N5P3S2Smiles:
Nc1nc(SCc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](COP(O)(=S)OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]1OAglycone:
COP(O)(=S)OP(=O)(O)OP(=O)(O)O.Nc1nc(SCc2ccccc2)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.35 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 11 |
| MolWt: | 645.44 | Num_heavy_atoms: | 39 |
| TPSA: | 262.06 | NumAromaticRings: | 3 |
Unique Aglycone
AD00287
Formula: CH7O9P3S
Smiles:
COP(O)(=S)OP(=O)(O)OP(=O)(O)O| HBA: | 9 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 0.08 | Num_rotatable_bonds: | 5 |
| MolWt: | 288.05 | Num_heavy_atoms: | 14 |
| TPSA: | 142.75 | NumAromaticRings: | 0 |
AD13180
Formula: C12H10N5S
Smiles:
Nc1nc(SCc2ccccc2)nc2c1N=C[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 2.26 | Num_rotatable_bonds: | 3 |
| MolWt: | 256.31 | Num_heavy_atoms: | 18 |
| TPSA: | 78.26 | NumAromaticRings: | 2 |
