Glycoside
GD004661
Name:
NoneFormula:
C13H15O13NP3ClSSmiles:
O=P(O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]1O[C@H](c2nc3ccc(Cl)cc3s2)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O.Clc1ccc2ncsc2c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.42 |
| AlogP: | 1.45 | Num_rotatable_bonds: | 8 |
| MolWt: | 541.69 | Num_heavy_atoms: | 31 |
| TPSA: | 222.4 | 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 |
AD04040
Formula: C8H4NClS
Smiles:
Clc1ccc2ncsc2c1| HBA: | 1 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 2.95 | Num_rotatable_bonds: | 0 |
| MolWt: | 169.64 | Num_heavy_atoms: | 10 |
| TPSA: | 12.89 | NumAromaticRings: | 2 |
