Glycoside
GD072892
Name:
NoneFormula:
C16H21O8NSSmiles:
O=C(C(=O)N1CC[C@H](S(=O)(=O)c2ccccc2)C1)[C@H](O)[C@H](O)[C@@H](O)COAglycone:
O=S(=O)(c1ccccc1)C1CCNC1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -2.29 | Num_rotatable_bonds: | 7 |
| MolWt: | 387.41 | Num_heavy_atoms: | 26 |
| TPSA: | 152.44 | NumAromaticRings: | 1 |
Unique Aglycone
AD33907
Formula: C10H13O2NS
Smiles:
O=S(=O)(c1ccccc1)C1CCNC1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 2 |
| MolWt: | 211.29 | Num_heavy_atoms: | 14 |
| TPSA: | 46.17 | NumAromaticRings: | 1 |
