Glycoside
GD082659
Name:
NoneFormula:
C14H20O9N2S2Smiles:
N#C[C@@H](Cc1cccs1)C(=O)N[C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1OAglycone:
COS(O)(O)O.N#CC(Cc1cccs1)C(N)=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.57 |
| AlogP: | -0.49 | Num_rotatable_bonds: | 7 |
| MolWt: | 424.45 | Num_heavy_atoms: | 27 |
| TPSA: | 192.73 | 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 |
AD29190
Formula: C8H8ON2S
Smiles:
N#CC(Cc1cccs1)C(N)=O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 0.92 | Num_rotatable_bonds: | 3 |
| MolWt: | 180.23 | Num_heavy_atoms: | 12 |
| TPSA: | 66.88 | NumAromaticRings: | 1 |
