Glycoside
GD018581
Name:
EMODIN 8-O-BETA-D-GLUCOPYRANOSIDEFormula:
C21H20O10Smiles:
Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c1C2=OAglycone:
Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | -0.64 | Num_rotatable_bonds: | 3 |
| MolWt: | 432.38 | Num_heavy_atoms: | 31 |
| TPSA: | 173.98 | NumAromaticRings: | 2 |
Unique Aglycone
AD00700
Formula: C15H10O5
Smiles:
Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.07 |
| AlogP: | 1.89 | Num_rotatable_bonds: | 0 |
| MolWt: | 270.24 | Num_heavy_atoms: | 20 |
| TPSA: | 94.83 | NumAromaticRings: | 2 |
