Glycoside
GD005323
Name:
NoneFormula:
C12H18O6N2SSmiles:
C[C@@H]1O[C@H](Nc2ccc(S(N)(=O)=O)cc2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Nc1ccc(S(N)(=O)=O)cc1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -1.43 | Num_rotatable_bonds: | 3 |
| MolWt: | 318.35 | Num_heavy_atoms: | 21 |
| TPSA: | 142.11 | NumAromaticRings: | 1 |
Unique Aglycone
AD03961
Formula: C6H8O2N2S
Smiles:
Nc1ccc(S(N)(=O)=O)cc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | -0.08 | Num_rotatable_bonds: | 1 |
| MolWt: | 172.21 | Num_heavy_atoms: | 11 |
| TPSA: | 86.18 | NumAromaticRings: | 1 |
