Glycoside
GD086595
Name:
NoneFormula:
C14H27O11N2SSmiles:
COC(=O)[C@H]1CC[N@H+](CC(=O)N[C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)C1Aglycone:
COC(=O)C1CC[NH+](CC(N)=O)C1.COS(O)(O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.86 |
| AlogP: | -3.86 | Num_rotatable_bonds: | 7 |
| MolWt: | 431.44 | Num_heavy_atoms: | 28 |
| TPSA: | 199.68 | 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 |
AD27359
Formula: C8H15O3N2
Smiles:
COC(=O)C1CC[NH+](CC(N)=O)C1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.75 |
| AlogP: | -2.45 | Num_rotatable_bonds: | 3 |
| MolWt: | 187.22 | Num_heavy_atoms: | 13 |
| TPSA: | 73.83 | NumAromaticRings: | 0 |
