Glycoside
GD086916
Name:
NoneFormula:
C16H24O10N2SSmiles:
CN1C[C@@H](C(=O)N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)Oc2ccccc21Aglycone:
CN1CC(C(N)=O)Oc2ccccc21.COS(O)(O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.56 |
| AlogP: | -1.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 436.44 | Num_heavy_atoms: | 29 |
| TPSA: | 181.41 | 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 |
AD30857
Formula: C10H12O2N2
Smiles:
CN1CC(C(N)=O)Oc2ccccc21| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | 0.37 | Num_rotatable_bonds: | 1 |
| MolWt: | 192.22 | Num_heavy_atoms: | 14 |
| TPSA: | 55.56 | NumAromaticRings: | 1 |
