Glycoside
GD024683
Name:
NoneFormula:
C36H46O19Smiles:
O=C(OCCCCO[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)c1cccc2c1-c1ccccc1C2=OAglycone:
O=C(OCCCCO)c1cccc2c1-c1ccccc1C2=OSugarmoiety:
OCC1OC(OCC2OC(OCC3OC(O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.61 |
| AlogP: | -3.7 | Num_rotatable_bonds: | 14 |
| MolWt: | 782.75 | Num_heavy_atoms: | 55 |
| TPSA: | 301.05 | NumAromaticRings: | 2 |
Unique Aglycone
AD03339
Formula: C18H16O4
Smiles:
O=C(OCCCCO)c1cccc2c1-c1ccccc1C2=O| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 2.83 | Num_rotatable_bonds: | 5 |
| MolWt: | 296.32 | Num_heavy_atoms: | 22 |
| TPSA: | 63.6 | NumAromaticRings: | 2 |
