Glycoside
GD063000
Name:
NoneFormula:
C11H22O9N2SSmiles:
CN1CC(C(=O)N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)C1Aglycone:
CN1CC(C(N)=O)C1.COS(O)(O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.91 |
| AlogP: | -2.37 | Num_rotatable_bonds: | 5 |
| MolWt: | 358.37 | Num_heavy_atoms: | 23 |
| TPSA: | 172.18 | 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 |
AD25021
Formula: C5H10ON2
Smiles:
CN1CC(C(N)=O)C1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | -0.97 | Num_rotatable_bonds: | 1 |
| MolWt: | 114.15 | Num_heavy_atoms: | 8 |
| TPSA: | 46.33 | NumAromaticRings: | 0 |
