Glycoside
GD063559
Name:
NoneFormula:
C12H25O10NSSmiles:
CC(C)COCC(=O)N[C@H]1[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1OAglycone:
CC(C)COCC(N)=O.COS(O)(O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.92 |
| AlogP: | -1.26 | Num_rotatable_bonds: | 8 |
| MolWt: | 375.4 | Num_heavy_atoms: | 24 |
| TPSA: | 178.17 | 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 |
AD30603
Formula: C6H13O2N
Smiles:
CC(C)COCC(N)=O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 0.14 | Num_rotatable_bonds: | 4 |
| MolWt: | 131.18 | Num_heavy_atoms: | 9 |
| TPSA: | 52.32 | NumAromaticRings: | 0 |
