Glycoside
GD084555
Name:
NoneFormula:
C18H25O8NSSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2ccc(S(=O)(=O)C3CC3)cc2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(NCCO)c1ccc(S(=O)(=O)C2CC2)cc1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.61 |
| AlogP: | -0.8 | Num_rotatable_bonds: | 7 |
| MolWt: | 415.46 | Num_heavy_atoms: | 28 |
| TPSA: | 142.39 | NumAromaticRings: | 1 |
Unique Aglycone
AD37780
Formula: C12H15O4NS
Smiles:
O=C(NCCO)c1ccc(S(=O)(=O)C2CC2)cc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.42 |
| AlogP: | 0.34 | Num_rotatable_bonds: | 5 |
| MolWt: | 269.32 | Num_heavy_atoms: | 18 |
| TPSA: | 83.47 | NumAromaticRings: | 1 |
