Glycoside
GD081794
Name:
NoneFormula:
C18H25O8NSSmiles:
CS(=O)(=O)c1cccc(C2CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CC2)c1Aglycone:
CS(=O)(=O)c1cccc(C2CCNCC2)c1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | -1.56 | Num_rotatable_bonds: | 7 |
| MolWt: | 415.46 | Num_heavy_atoms: | 28 |
| TPSA: | 152.44 | NumAromaticRings: | 1 |
Unique Aglycone
AD36766
Formula: C12H17O2NS
Smiles:
CS(=O)(=O)c1cccc(C2CCNCC2)c1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 1.56 | Num_rotatable_bonds: | 2 |
| MolWt: | 239.34 | Num_heavy_atoms: | 16 |
| TPSA: | 46.17 | NumAromaticRings: | 1 |
