Glycoside
GD149665
Name:
Beta-D-Galp-(1->4)-Beta-D-Glcpnac6S-(1->3)-D-GalpFormula:
C20H35O19NSSmiles:
CC(O)=NC1C(OC2C(O)C(O)OC(CO)C2O)OC(COS(=O)(=O)O)C(OC2OC(CO)C(O)C(O)C2O)C1OAglycone:
COS(=O)(=O)OSugarmoiety:
CC(O)=NC1C(OC2C(O)C(O)OC(CO)C2O)OC(O)C(OC2OC(CO)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.95 |
| AlogP: | -6.76 | Num_rotatable_bonds: | 10 |
| MolWt: | 625.56 | Num_heavy_atoms: | 41 |
| TPSA: | 324.41 | 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 |
