Glycoside
GD006910
Name:
NoneFormula:
C16H27O14N7P3ISmiles:
Nc1ncnc2c1nc(NCCCCNC(=O)CI)n2[C@@H]1O[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.Nc1ncnc2c1N=C(NCCCCNC(=O)CI)[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.62 |
| AlogP: | -0.89 | Num_rotatable_bonds: | 15 |
| MolWt: | 761.25 | Num_heavy_atoms: | 41 |
| TPSA: | 320.26 | 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 |
AD05670
Formula: C11H15ON7I
Smiles:
Nc1ncnc2c1N=C(NCCCCNC(=O)CI)[N]2| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | 0.22 | Num_rotatable_bonds: | 6 |
| MolWt: | 388.19 | Num_heavy_atoms: | 20 |
| TPSA: | 119.39 | NumAromaticRings: | 1 |
