Glycoside
GD088114
Name:
NoneFormula:
C18H26O9N2SSmiles:
C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)cc2)C[C@@H](C)O1Aglycone:
CC1CN(S(=O)(=O)c2ccc(N)cc2)CC(C)O1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -1.93 | Num_rotatable_bonds: | 8 |
| MolWt: | 446.48 | Num_heavy_atoms: | 30 |
| TPSA: | 173.7 | NumAromaticRings: | 1 |
Unique Aglycone
AD38591
Formula: C12H18O3N2S
Smiles:
CC1CN(S(=O)(=O)c2ccc(N)cc2)CC(C)O1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 1.07 | Num_rotatable_bonds: | 2 |
| MolWt: | 270.35 | Num_heavy_atoms: | 18 |
| TPSA: | 72.63 | NumAromaticRings: | 1 |
