Glycoside
GD131993
Name:
Chondroitin SulfateFormula:
C13H21O15NSSmiles:
CC(O)=NC1C(O)OC(OS(=O)(=O)O)C(O)C1OC1OC(C(=O)O)C(O)C(O)C1OAglycone:
O=S(=O)(O)OSugarmoiety:
CC(O)=NC1C(O)OC(O)C(O)C1OC1OC(C(=O)O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.85 |
| AlogP: | -4.54 | Num_rotatable_bonds: | 6 |
| MolWt: | 463.37 | Num_heavy_atoms: | 30 |
| TPSA: | 262.33 | 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 |
