Glycoside
GD081971
Name:
NoneFormula:
C16H21O8N2ClSSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
NS(=O)(=O)c1cc(C(=O)NCCO)ccc1ClSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.53 |
| AlogP: | -1.44 | Num_rotatable_bonds: | 6 |
| MolWt: | 424.86 | Num_heavy_atoms: | 27 |
| TPSA: | 168.41 | NumAromaticRings: | 1 |
Unique Aglycone
AD36812
Formula: C10H11O4N2ClS
Smiles:
NS(=O)(=O)c1cc(C(=O)NCCO)ccc1Cl| HBA: | 6 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.22 |
| AlogP: | -0.29 | Num_rotatable_bonds: | 4 |
| MolWt: | 278.72 | Num_heavy_atoms: | 17 |
| TPSA: | 109.49 | NumAromaticRings: | 1 |
