Glycoside
GD120341
Name:
Beta-D-Galp-(1->4)-Beta-D-Glcpnac6S-(1->3)-Beta-D-Galp-(1->4)-Beta-D-Glcpnac6S-(1->3)-D-GalpFormula:
C34H58O31N2S2Smiles:
CC(O)=NC1C(OC2C(O)C(CO)OC(OC3C(COS(=O)O)OC(OC4C(O)C(O)OC(CO)C4O)C(N=C(C)O)C3O)C2O)OC(COS(=O)(=O)O)C(OC2OC(CO)C(O)C(O)C2O)C1OAglycone:
COS(=O)(=O)O.COS(=O)OSugarmoiety:
CC(O)=NC1C(OC2C(O)C(CO)OC(OC3C(O)OC(OC4C(O)C(O)OC(CO)C4O)C(N=C(C)O)C3O)C2O)OC(O)C(OC2OC(CO)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 33 | RingCount: | 5 |
| HBD: | 17 | FractionCSP3: | 0.94 |
| AlogP: | -9.97 | Num_rotatable_bonds: | 19 |
| MolWt: | 1054.96 | Num_heavy_atoms: | 69 |
| TPSA: | 521.37 | 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 |
AD02708
Formula: CH4O3S
Smiles:
COS(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.23 | Num_rotatable_bonds: | 1 |
| MolWt: | 96.11 | Num_heavy_atoms: | 5 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
Sugarmoiety
SD05600
CC(O)=NC1C(OC2C(O)C(CO)OC(OC3C(O)OC(OC4C(O)C(O)OC(CO)C4O)C(N=C(C)O)C3O)C2O)OC(O)C(OC2OC(CO)C(O)C(O)C2O)C1O