Glycoside
GD086849
Name:
NoneFormula:
C17H27O10NSSmiles:
COc1ccc(CCC(=O)N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)cc1CAglycone:
COS(O)(O)O.COc1ccc(CCC(N)=O)cc1CSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.59 |
| AlogP: | 0.02 | Num_rotatable_bonds: | 8 |
| MolWt: | 437.47 | Num_heavy_atoms: | 29 |
| TPSA: | 178.17 | 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 |
AD30800
Formula: C11H15O2N
Smiles:
COc1ccc(CCC(N)=O)cc1C| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.36 |
| AlogP: | 1.42 | Num_rotatable_bonds: | 4 |
| MolWt: | 193.25 | Num_heavy_atoms: | 14 |
| TPSA: | 52.32 | NumAromaticRings: | 1 |
