Glycoside
GD080367
Name:
NoneFormula:
C15H24O9N2SSmiles:
CN(CC(=O)N[C@H]1[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O)c1ccccc1Aglycone:
CN(CC(N)=O)c1ccccc1.COS(O)(O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.53 |
| AlogP: | -0.8 | Num_rotatable_bonds: | 7 |
| MolWt: | 408.43 | Num_heavy_atoms: | 27 |
| TPSA: | 172.18 | 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 |
AD28576
Formula: C9H12ON2
Smiles:
CN(CC(N)=O)c1ccccc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 0.61 | Num_rotatable_bonds: | 3 |
| MolWt: | 164.21 | Num_heavy_atoms: | 12 |
| TPSA: | 46.33 | NumAromaticRings: | 1 |
