Glycoside
GD133277
Name:
5-methoxy-3-[3-(beta-d-glucopyranosyloxy)-2-acetyloxy-3-methyl-butyl]-pso+Formula:
C25H30O12Smiles:
COc1c2ccoc2cc2oc(=O)c(CC(OC(C)=O)C(C)(C)OC3OC(CO)C(O)C(O)C3O)cc12Aglycone:
COc1c2ccoc2cc2oc(=O)c(CC(OC(C)=O)C(C)(C)O)cc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.52 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 8 |
| MolWt: | 522.5 | Num_heavy_atoms: | 37 |
| TPSA: | 178.26 | NumAromaticRings: | 3 |
Unique Aglycone
AD53950
Formula: C19H20O7
Smiles:
COc1c2ccoc2cc2oc(=O)c(CC(OC(C)=O)C(C)(C)O)cc12| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.37 |
| AlogP: | 2.79 | Num_rotatable_bonds: | 5 |
| MolWt: | 360.36 | Num_heavy_atoms: | 26 |
| TPSA: | 99.11 | NumAromaticRings: | 3 |
