Glycoside
GD071918
Name:
NoneFormula:
C12H19O9NS2Smiles:
Cc1ccsc1C(=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.Cc1ccsc1C(N)=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.58 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 5 |
| MolWt: | 385.42 | Num_heavy_atoms: | 24 |
| TPSA: | 168.94 | NumAromaticRings: | 1 |
Unique Aglycone
AD07331
Formula: C6H7ONS
Smiles:
Cc1ccsc1C(N)=O| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 1.16 | Num_rotatable_bonds: | 1 |
| MolWt: | 141.2 | Num_heavy_atoms: | 9 |
| TPSA: | 43.09 | NumAromaticRings: | 1 |
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 |
