Glycoside
GD014939
Name:
NoneFormula:
C16H23O10N7PClSSmiles:
Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)CS(=O)(=O)NCCNC(=O)CCl)[C@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
COP(=O)(O)CS(=O)(=O)NCCNC(=O)CCl.Nc1nc2c(c(=O)[nH]1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.6 |
| AlogP: | -3.25 | Num_rotatable_bonds: | 11 |
| MolWt: | 559.88 | Num_heavy_atoms: | 35 |
| TPSA: | 261.08 | NumAromaticRings: | 2 |
Unique Aglycone
AD00207
Formula: C5H4ON5
Smiles:
Nc1nc2c(c(=O)[nH]1)N=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 98.23 | NumAromaticRings: | 1 |
AD10932
Formula: C7H14O6N2PClS
Smiles:
COP(=O)(O)CS(=O)(=O)NCCNC(=O)CCl| HBA: | 8 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | -0.95 | Num_rotatable_bonds: | 8 |
| MolWt: | 308.68 | Num_heavy_atoms: | 17 |
| TPSA: | 121.8 | NumAromaticRings: | 0 |
