Glycoside
GD080588
Name:
NoneFormula:
C12H19O9NS3Smiles:
CSc1ccc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)s1Aglycone:
COS(O)(O)O.CSc1ccc(C(N)=O)s1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.58 |
| AlogP: | 0.16 | Num_rotatable_bonds: | 6 |
| MolWt: | 417.48 | Num_heavy_atoms: | 25 |
| TPSA: | 168.94 | 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 |
AD28814
Formula: C6H7ONS2
Smiles:
CSc1ccc(C(N)=O)s1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 1.57 | Num_rotatable_bonds: | 2 |
| MolWt: | 173.26 | Num_heavy_atoms: | 10 |
| TPSA: | 43.09 | NumAromaticRings: | 1 |
