Glycoside
GD112173
Name:
NoneFormula:
C29H34O9S2Smiles:
CO[C@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](OS(C)(=O)=O)[C@@H](OS(C)(=O)=O)[C@@H]1CAglycone:
COC(c1ccccc1)(c1ccccc1)c1ccccc1.CS(=O)(=O)O.CS(=O)(=O)OSugarmoiety:
COC1OC(O)C(O)C(O)C1COther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.38 |
| AlogP: | 3.69 | Num_rotatable_bonds: | 11 |
| MolWt: | 590.72 | Num_heavy_atoms: | 40 |
| TPSA: | 114.43 | NumAromaticRings: | 3 |
Unique Aglycone
AD00013
Formula: CH4O3S
Smiles:
CS(=O)(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.5 | Num_rotatable_bonds: | 0 |
| MolWt: | 96.11 | Num_heavy_atoms: | 5 |
| TPSA: | 54.37 | NumAromaticRings: | 0 |
AD01054
Formula: C20H18O
Smiles:
COC(c1ccccc1)(c1ccccc1)c1ccccc1| HBA: | 1 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.1 |
| AlogP: | 4.62 | Num_rotatable_bonds: | 4 |
| MolWt: | 274.36 | Num_heavy_atoms: | 21 |
| TPSA: | 9.23 | NumAromaticRings: | 3 |
