Glycoside
GD117689
Name:
NoneFormula:
C19H27O11NS3Smiles:
CS(=O)CCCCC(=NOS(=O)(=O)O)SC1OC(COC(=O)c2ccccc2)C(O)C(O)C1OAglycone:
COC(=O)c1ccccc1.CS(=O)CCCCC(S)=NOS(=O)(=O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.58 |
| AlogP: | 0.07 | Num_rotatable_bonds: | 11 |
| MolWt: | 541.62 | Num_heavy_atoms: | 34 |
| TPSA: | 189.25 | NumAromaticRings: | 1 |
Unique Aglycone
AD00480
Formula: C8H8O2
Smiles:
COC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
AD46961
Formula: C6H13O5NS3
Smiles:
CS(=O)CCCCC(S)=NOS(=O)(=O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 0.6 | Num_rotatable_bonds: | 7 |
| MolWt: | 275.37 | Num_heavy_atoms: | 15 |
| TPSA: | 93.03 | NumAromaticRings: | 0 |
