Glycoside
GD132109
Name:
(4-hydroxy-4,6-dimethyl-8-oxo-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7-oxatricyclo[4.3.0.0³,â¹]nonan-9-yl)methyl benzoateFormula:
C24H30O11Smiles:
CC1(O)CC2(C)OC(=O)C3(COC(=O)c4ccccc4)C1CC23OC1OC(CO)C(O)C(O)C1OAglycone:
CC1(O)CC2(C)OC(=O)C3(COC(=O)c4ccccc4)C1CC23OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | -1.12 | Num_rotatable_bonds: | 6 |
| MolWt: | 494.49 | Num_heavy_atoms: | 35 |
| TPSA: | 172.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD53485
Formula: C18H20O6
Smiles:
CC1(O)CC2(C)OC(=O)C3(COC(=O)c4ccccc4)C1CC23O| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.56 |
| AlogP: | 1.05 | Num_rotatable_bonds: | 3 |
| MolWt: | 332.35 | Num_heavy_atoms: | 24 |
| TPSA: | 93.06 | NumAromaticRings: | 1 |
