Glycoside
GD089267
Name:
NoneFormula:
C18H27O6N3ClSSmiles:
C[NH+](C)CCNC(=O)C[C@@H]1O[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)[C@@H](O)[C@H]1OAglycone:
CC(=O)NCC[NH+](C)C.CNS(=O)(=O)c1ccc(Cl)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.59 |
| AlogP: | -2.24 | Num_rotatable_bonds: | 9 |
| MolWt: | 436.94 | Num_heavy_atoms: | 28 |
| TPSA: | 129.4 | NumAromaticRings: | 1 |
Unique Aglycone
AD18767
Formula: C8H8O2NClS
Smiles:
CNS(=O)(=O)c1ccc(Cl)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 205.67 | Num_heavy_atoms: | 12 |
| TPSA: | 46.17 | NumAromaticRings: | 1 |
AD27256
Formula: C6H15ON2
Smiles:
CC(=O)NCC[NH+](C)C| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | -1.73 | Num_rotatable_bonds: | 3 |
| MolWt: | 131.2 | Num_heavy_atoms: | 9 |
| TPSA: | 33.54 | NumAromaticRings: | 0 |
