Glycoside
GD155398
Name:
Emodin 8-O-Beta-Glucopyranosyl-6-O-SulfateFormula:
C21H20O13SSmiles:
Cc1cc(O)c2c(c1)C(=O)c1cc(OS(=O)(=O)O)cc(OC3OC(CO)C(O)C(O)C3O)c1C2=OAglycone:
Cc1cc(O)c2c(c1)C(=O)c1cc(OS(=O)(=O)O)cc(O)c1C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | -1.16 | Num_rotatable_bonds: | 5 |
| MolWt: | 512.45 | Num_heavy_atoms: | 35 |
| TPSA: | 217.35 | NumAromaticRings: | 2 |
Unique Aglycone
AD61647
Formula: C15H10O8S
Smiles:
Cc1cc(O)c2c(c1)C(=O)c1cc(OS(=O)(=O)O)cc(O)c1C2=O| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.07 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 2 |
| MolWt: | 350.3 | Num_heavy_atoms: | 24 |
| TPSA: | 138.2 | NumAromaticRings: | 2 |
