Glycoside
GD017867
Name:
NoneFormula:
C21H22O7SBr2Smiles:
COC1OC(CBr)C(OC(=O)c2ccccc2)C(OS(=O)(=O)c2ccc(C)cc2)C1BrAglycone:
Cc1ccc(S(=O)(=O)O)cc1.O=C(O)c1ccccc1Sugarmoiety:
COC1OC(CBr)C(O)C(O)C1BrOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.38 |
| AlogP: | 3.82 | Num_rotatable_bonds: | 7 |
| MolWt: | 578.28 | Num_heavy_atoms: | 31 |
| TPSA: | 88.13 | NumAromaticRings: | 2 |
Unique Aglycone
AD00002
Formula: C7H6O2
Smiles:
O=C(O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.12 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD00419
Formula: C7H8O3S
Smiles:
Cc1ccc(S(=O)(=O)O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 1 |
| MolWt: | 172.21 | Num_heavy_atoms: | 11 |
| TPSA: | 54.37 | NumAromaticRings: | 1 |
