Glycoside
GD082217
Name:
NoneFormula:
C16H27O9N2SSmiles:
C[NH+](C)Cc1ccc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)cc1Aglycone:
COS(O)(O)O.C[NH+](C)Cc1ccc(C(N)=O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.56 |
| AlogP: | -1.98 | Num_rotatable_bonds: | 7 |
| MolWt: | 423.46 | Num_heavy_atoms: | 28 |
| TPSA: | 173.38 | NumAromaticRings: | 1 |
Unique Aglycone
AD12993
Formula: CH6O4S
Smiles:
COS(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 1 |
| MolWt: | 114.12 | Num_heavy_atoms: | 6 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
AD29004
Formula: C10H15ON2
Smiles:
C[NH+](C)Cc1ccc(C(N)=O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.3 |
| AlogP: | -0.57 | Num_rotatable_bonds: | 3 |
| MolWt: | 179.24 | Num_heavy_atoms: | 13 |
| TPSA: | 47.53 | NumAromaticRings: | 1 |
