Glycoside
GD098688
Name:
NoneFormula:
C17H20O8N2Cl2SSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2ccc(S(=O)(=O)N(Cl)Cl)cc2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(NCCO)c1ccc(S(=O)(=O)N(Cl)Cl)cc1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | -0.44 | Num_rotatable_bonds: | 7 |
| MolWt: | 459.3 | Num_heavy_atoms: | 28 |
| TPSA: | 145.63 | NumAromaticRings: | 1 |
Unique Aglycone
AD41976
Formula: C11H10O4N2Cl2S
Smiles:
O=C(NCCO)c1ccc(S(=O)(=O)N(Cl)Cl)cc1| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 0.71 | Num_rotatable_bonds: | 5 |
| MolWt: | 313.16 | Num_heavy_atoms: | 18 |
| TPSA: | 86.71 | NumAromaticRings: | 1 |
