Glycoside
GD145596
Name:
Beta-D-Glcpnac-(1->3)-Beta-D-Galp-(1->4)-Beta-D-Glcpnac6S-(1->3)-D-GalpFormula:
C28H48O24N2SSmiles:
CC(O)=NC1C(OC2C(O)C(CO)OC(OC3C(COS(=O)(=O)O)OC(OC4C(O)C(O)OC(CO)C4O)C(N=C(C)O)C3O)C2O)OC(CO)C(O)C1OAglycone:
COS(=O)(=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(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 26 | RingCount: | 4 |
| HBD: | 14 | FractionCSP3: | 0.93 |
| AlogP: | -7.95 | Num_rotatable_bonds: | 14 |
| MolWt: | 828.75 | Num_heavy_atoms: | 55 |
| TPSA: | 415.92 | 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 |
Sugarmoiety
SD09239
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(CO)C(O)C1O