Glycoside
GD117232
Name:
DemethylligstrosideFormula:
C24H30O12Smiles:
CC=C1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)O)C1CC(=O)OCCc1ccc(O)cc1Aglycone:
CC=C1C(O)OC=C(C(=O)O)C1CC(=O)OCCc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -0.43 | Num_rotatable_bonds: | 9 |
| MolWt: | 510.49 | Num_heavy_atoms: | 36 |
| TPSA: | 192.44 | NumAromaticRings: | 1 |
Unique Aglycone
AD46708
Formula: C18H20O7
Smiles:
CC=C1C(O)OC=C(C(=O)O)C1CC(=O)OCCc1ccc(O)cc1| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 1.75 | Num_rotatable_bonds: | 6 |
| MolWt: | 348.35 | Num_heavy_atoms: | 25 |
| TPSA: | 113.29 | NumAromaticRings: | 1 |
