Glycoside
GD094095
Name:
NoneFormula:
C17H24O11NFSSmiles:
COc1ccc(C(=O)CCC(=O)N[C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)cc1FAglycone:
COS(O)(O)O.COc1ccc(C(=O)CCC(N)=O)cc1FSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.53 |
| AlogP: | -0.12 | Num_rotatable_bonds: | 9 |
| MolWt: | 469.44 | Num_heavy_atoms: | 31 |
| TPSA: | 195.24 | 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 |
AD34501
Formula: C11H12O3NF
Smiles:
COc1ccc(C(=O)CCC(N)=O)cc1F| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.27 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 5 |
| MolWt: | 225.22 | Num_heavy_atoms: | 16 |
| TPSA: | 69.39 | NumAromaticRings: | 1 |
