Glycoside
GD082167
Name:
NoneFormula:
C17H26O8N2SSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)Cc2cccc(NS(C)(=O)=O)c2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
CS(=O)(=O)Nc1cccc(CC(=O)NCCO)c1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.59 |
| AlogP: | -1.44 | Num_rotatable_bonds: | 8 |
| MolWt: | 418.47 | Num_heavy_atoms: | 28 |
| TPSA: | 154.42 | NumAromaticRings: | 1 |
Unique Aglycone
AD36895
Formula: C11H16O4N2S
Smiles:
CS(=O)(=O)Nc1cccc(CC(=O)NCCO)c1| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.36 |
| AlogP: | -0.29 | Num_rotatable_bonds: | 6 |
| MolWt: | 272.33 | Num_heavy_atoms: | 18 |
| TPSA: | 95.5 | NumAromaticRings: | 1 |
