Glycoside
GD144959
Name:
(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl 2-(acetyloxy)-3-hydroxy-3-methylbutanoateFormula:
C20H28O11Smiles:
CC(=O)OC(C(=O)OCc1ccc(OC2OC(CO)C(O)C(O)C2O)cc1)C(C)(C)OAglycone:
CC(=O)OC(C(=O)OCc1ccc(O)cc1)C(C)(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.6 |
| AlogP: | -1.39 | Num_rotatable_bonds: | 8 |
| MolWt: | 444.43 | Num_heavy_atoms: | 31 |
| TPSA: | 172.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD58216
Formula: C14H18O6
Smiles:
CC(=O)OC(C(=O)OCc1ccc(O)cc1)C(C)(C)O| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.43 |
| AlogP: | 1.14 | Num_rotatable_bonds: | 5 |
| MolWt: | 282.29 | Num_heavy_atoms: | 20 |
| TPSA: | 93.06 | NumAromaticRings: | 1 |
