Glycoside
GD001117
Name:
3,3',4,4',5,5',9,9'-Octahydroxy-2,7'-Cyclolignan; (7'S,8R,8'R)-Form, 3,3',5,5'-Tetra-Me Ether, 9-O-β-D-GlucopyranosideFormula:
C28H38O13Smiles:
COc1cc([C@@H]2c3c(cc(OC)c(O)c3OC)C[C@H](CO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2CO)cc(OC)c1OAglycone:
COc1cc(C2c3c(cc(OC)c(O)c3OC)CC(CO)C2CO)cc(OC)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.57 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 10 |
| MolWt: | 582.6 | Num_heavy_atoms: | 41 |
| TPSA: | 196.99 | NumAromaticRings: | 2 |
Unique Aglycone
AD01165
Formula: C22H28O8
Smiles:
COc1cc(C2c3c(cc(OC)c(O)c3OC)CC(CO)C2CO)cc(OC)c1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | 2.04 | Num_rotatable_bonds: | 7 |
| MolWt: | 420.46 | Num_heavy_atoms: | 30 |
| TPSA: | 117.84 | NumAromaticRings: | 2 |
