Glycoside
GD100196
Name:
NoneFormula:
C23H30O8N2SSmiles:
Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)NCCO[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)c2)c1Aglycone:
Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)NCCO)c2)c1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | 0.68 | Num_rotatable_bonds: | 8 |
| MolWt: | 494.57 | Num_heavy_atoms: | 34 |
| TPSA: | 154.42 | NumAromaticRings: | 2 |
Unique Aglycone
AD42342
Formula: C17H20O4N2S
Smiles:
Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)NCCO)c2)c1| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.24 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 6 |
| MolWt: | 348.42 | Num_heavy_atoms: | 24 |
| TPSA: | 95.5 | NumAromaticRings: | 2 |
