Glycoside
GD080428
Name:
NoneFormula:
C10H22O11N2S2Smiles:
CN(CC(=O)N[C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O)S(C)(=O)=OAglycone:
CN(CC(N)=O)S(C)(=O)=O.COS(O)(O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.9 |
| AlogP: | -3.04 | Num_rotatable_bonds: | 7 |
| MolWt: | 410.42 | Num_heavy_atoms: | 25 |
| TPSA: | 206.32 | NumAromaticRings: | 0 |
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 |
AD28679
Formula: C4H10O3N2S
Smiles:
CN(CC(N)=O)S(C)(=O)=O| HBA: | 5 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.75 |
| AlogP: | -1.64 | Num_rotatable_bonds: | 3 |
| MolWt: | 166.2 | Num_heavy_atoms: | 10 |
| TPSA: | 80.47 | NumAromaticRings: | 0 |
