Glycoside
GD150028
Name:
(3-hydroxy-4-methyl-8-oxo-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-oxatricyclo[4.2.1.0³,â¹]nonan-9-yl)methyl benzoateFormula:
C23H28O11Smiles:
CC1(OC2OC(CO)C(O)C(O)C2O)OC2CC(=O)C3CC1(O)C23COC(=O)c1ccccc1Aglycone:
CC1(O)OC2CC(=O)C3CC1(O)C23COC(=O)c1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.65 |
| AlogP: | -1.51 | Num_rotatable_bonds: | 6 |
| MolWt: | 480.47 | Num_heavy_atoms: | 34 |
| TPSA: | 172.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD57636
Formula: C17H18O6
Smiles:
CC1(O)OC2CC(=O)C3CC1(O)C23COC(=O)c1ccccc1| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.53 |
| AlogP: | 0.66 | Num_rotatable_bonds: | 3 |
| MolWt: | 318.32 | Num_heavy_atoms: | 23 |
| TPSA: | 93.06 | NumAromaticRings: | 1 |
