Glycoside
GD120482
Name:
11-(1-hydroxyethyl)-6-methyl-10-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9-oxatricyclo[6.2.1.0²,â¶]undecane-5-carboxylic acidFormula:
C20H30O11Smiles:
CC(O)C1C2OC(=O)C1C1CCC(C(=O)O)C1(C)C2OC1OC(CO)C(O)C(O)C1OAglycone:
CC(O)C1C2OC(=O)C1C1CCC(C(=O)O)C1(C)C2OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.9 |
| AlogP: | -2.16 | Num_rotatable_bonds: | 5 |
| MolWt: | 446.45 | Num_heavy_atoms: | 31 |
| TPSA: | 183.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD48408
Formula: C14H20O6
Smiles:
CC(O)C1C2OC(=O)C1C1CCC(C(=O)O)C1(C)C2O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | 0.02 | Num_rotatable_bonds: | 2 |
| MolWt: | 284.31 | Num_heavy_atoms: | 20 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
