Glycoside
GD036117
Name:
NoneFormula:
C24H28O6N8Cl2S2Smiles:
CN(C)S(=O)(=O)NC[C@@H]1O[C@H](n2c(SCC(=O)NCCc3ccc(Cl)c(Cl)c3)nc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CNS(=O)(=O)N(C)C.Nc1ncnc2c1N=C(SCC(=O)NCCc1ccc(Cl)c(Cl)c1)[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.45 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 11 |
| MolWt: | 635.56 | Num_heavy_atoms: | 40 |
| TPSA: | 197.82 | NumAromaticRings: | 3 |
Unique Aglycone
AD02213
Formula: C17H13ON6Cl2S
Smiles:
Nc1ncnc2c1N=C(SCC(=O)NCCc1ccc(Cl)c(Cl)c1)[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.2 |
| AlogP: | 2.69 | Num_rotatable_bonds: | 5 |
| MolWt: | 396.28 | Num_heavy_atoms: | 25 |
| TPSA: | 107.36 | NumAromaticRings: | 2 |
AD22809
Formula: C3H10O2N2S
Smiles:
CNS(=O)(=O)N(C)C| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.99 | Num_rotatable_bonds: | 2 |
| MolWt: | 138.19 | Num_heavy_atoms: | 8 |
| TPSA: | 49.41 | NumAromaticRings: | 0 |
