Glycoside
GD067308
Name:
NoneFormula:
C11H18O9N2SSmiles:
N#CC1(C(=O)N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)CC1Aglycone:
COS(O)(O)O.N#CC1(C(N)=O)CC1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.82 |
| AlogP: | -1.63 | Num_rotatable_bonds: | 5 |
| MolWt: | 354.34 | Num_heavy_atoms: | 23 |
| TPSA: | 192.73 | 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 |
AD25212
Formula: C5H6ON2
Smiles:
N#CC1(C(N)=O)CC1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | -0.22 | Num_rotatable_bonds: | 1 |
| MolWt: | 110.12 | Num_heavy_atoms: | 8 |
| TPSA: | 66.88 | NumAromaticRings: | 0 |
