Glycoside
GD082085
Name:
NoneFormula:
C17H26O8N2SSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)CCc2ccc(S(N)(=O)=O)cc2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
NS(=O)(=O)c1ccc(CCC(=O)NCCO)cc1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.59 |
| AlogP: | -1.77 | Num_rotatable_bonds: | 8 |
| MolWt: | 418.47 | Num_heavy_atoms: | 28 |
| TPSA: | 168.41 | NumAromaticRings: | 1 |
Unique Aglycone
AD36857
Formula: C11H16O4N2S
Smiles:
NS(=O)(=O)c1ccc(CCC(=O)NCCO)cc1| HBA: | 6 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.36 |
| AlogP: | -0.62 | Num_rotatable_bonds: | 6 |
| MolWt: | 272.33 | Num_heavy_atoms: | 18 |
| TPSA: | 109.49 | NumAromaticRings: | 1 |
