Glycoside
GD080063
Name:
NoneFormula:
C12H20O10N2S2Smiles:
CS(=O)(=O)c1ccc(N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)nc1Aglycone:
COS(O)(O)O.CS(=O)(=O)c1ccc(N)nc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.58 |
| AlogP: | -1.14 | Num_rotatable_bonds: | 6 |
| MolWt: | 416.43 | Num_heavy_atoms: | 26 |
| TPSA: | 198.9 | 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 |
AD36403
Formula: C6H8O2N2S
Smiles:
CS(=O)(=O)c1ccc(N)nc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 0.07 | Num_rotatable_bonds: | 1 |
| MolWt: | 172.21 | Num_heavy_atoms: | 11 |
| TPSA: | 73.05 | NumAromaticRings: | 1 |
