Glycoside
GD119663
Name:
(8-hydroxy-6-methyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dioxatricyclo[4.3.1.0³,â¸]decan-2-yl)methyl benzoateFormula:
C23H30O11Smiles:
CC12CCC3C(O)(C1)OC(O2)C3(COC(=O)c1ccccc1)OC1OC(CO)C(O)C(O)C1OAglycone:
CC12CCC3C(O)(C1)OC(O2)C3(O)COC(=O)c1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.7 |
| AlogP: | -0.97 | Num_rotatable_bonds: | 6 |
| MolWt: | 482.48 | Num_heavy_atoms: | 34 |
| TPSA: | 164.37 | NumAromaticRings: | 1 |
Unique Aglycone
AD47986
Formula: C17H20O6
Smiles:
CC12CCC3C(O)(C1)OC(O2)C3(O)COC(=O)c1ccccc1| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.59 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 3 |
| MolWt: | 320.34 | Num_heavy_atoms: | 23 |
| TPSA: | 85.22 | NumAromaticRings: | 1 |
