Glycoside
GD073942
Name:
NoneFormula:
C13H27O9N2SSmiles:
CC(=O)N1CCC([NH2+][C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)CC1Aglycone:
CC(=O)N1CCC([NH3+])CC1.COS(O)(O)OSugarmoiety:
OC1OC(O)C([OH2+])C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.92 |
| AlogP: | -2.48 | Num_rotatable_bonds: | 5 |
| MolWt: | 387.43 | Num_heavy_atoms: | 25 |
| TPSA: | 176.76 | 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 |
AD26574
Formula: C7H15ON2
Smiles:
CC(=O)N1CCC([NH3+])CC1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | -0.76 | Num_rotatable_bonds: | 0 |
| MolWt: | 143.21 | Num_heavy_atoms: | 10 |
| TPSA: | 47.95 | NumAromaticRings: | 0 |
