Glycoside
GD152153
Name:
Beta-D-Galpnac4S-(1->4)-Beta-D-Glcpa-(1->3)-Beta-D-Galpnac4SFormula:
C22H36O23N2S2Smiles:
CC(O)=NC1C(OC2C(C(=O)O)OC(OC3C(N=C(C)O)C(O)OC(CO)C3OS(=O)(=O)O)C(O)C2O)OC(CO)C(OS(=O)(=O)O)C1OAglycone:
O=S(=O)(O)O.O=S(=O)(O)OSugarmoiety:
CC(O)=NC1C(OC2C(C(=O)O)OC(OC3C(O)C(CO)OC(O)C3N=C(C)O)C(O)C2O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.86 |
| AlogP: | -5.86 | Num_rotatable_bonds: | 13 |
| MolWt: | 760.66 | Num_heavy_atoms: | 49 |
| TPSA: | 397.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD00034
Formula: H2O4S
Smiles:
O=S(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 98.08 | Num_heavy_atoms: | 5 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
