Glycoside
GD063705
Name:
NoneFormula:
C11H21O10NSSmiles:
CC(=O)CCC(=O)N[C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1OAglycone:
CC(=O)CCC(N)=O.COS(O)(O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.82 |
| AlogP: | -1.57 | Num_rotatable_bonds: | 7 |
| MolWt: | 359.35 | Num_heavy_atoms: | 23 |
| TPSA: | 186.01 | NumAromaticRings: | 0 |
Unique Aglycone
AD08388
Formula: C5H9O2N
Smiles:
CC(=O)CCC(N)=O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 115.13 | Num_heavy_atoms: | 8 |
| TPSA: | 60.16 | NumAromaticRings: | 0 |
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 |
