Glycoside
GD124256
Name:
Beta-D-Glca-(1->4)-Alpha-D-Glcnac6S-(1->4)-D-GlcaFormula:
C20H31O21NSSmiles:
CC(O)=NC1C(OC2C(C(=O)O)OC(O)C(O)C2O)OC(COS(=O)(=O)O)C(OC2OC(C(=O)O)C(O)C(O)C2O)C1OAglycone:
COS(=O)(=O)OSugarmoiety:
CC(O)=NC1C(OC2C(C(=O)O)OC(O)C(O)C2O)OC(O)C(OC2OC(C(=O)O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.85 |
| AlogP: | -6.58 | Num_rotatable_bonds: | 10 |
| MolWt: | 653.52 | Num_heavy_atoms: | 43 |
| TPSA: | 358.55 | NumAromaticRings: | 0 |
Unique Aglycone
AD00053
Formula: CH4O4S
Smiles:
COS(=O)(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.56 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.11 | Num_heavy_atoms: | 6 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
