Glycoside
GD148703
Name:
4-hydroxy-4,5-dimethyl-3,7-dioxo-12-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,3H,4H,5H,7H,8H,8aH,12H,12aH-pyrano[3,4-g][1,5]dioxecine-9-carboxylic acidFormula:
C20H28O14Smiles:
CC1OC(=O)CC2C(C(=O)O)=COC(OC3OC(CO)C(O)C(O)C3O)C2COC(=O)C1(C)OAglycone:
CC1OC(=O)CC2C(C(=O)O)=COC(O)C2COC(=O)C1(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.75 |
| AlogP: | -3.01 | Num_rotatable_bonds: | 4 |
| MolWt: | 492.43 | Num_heavy_atoms: | 34 |
| TPSA: | 218.74 | NumAromaticRings: | 0 |
Unique Aglycone
AD59492
Formula: C14H18O9
Smiles:
CC1OC(=O)CC2C(C(=O)O)=COC(O)C2COC(=O)C1(C)O| HBA: | 9 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.64 |
| AlogP: | -0.83 | Num_rotatable_bonds: | 1 |
| MolWt: | 330.29 | Num_heavy_atoms: | 23 |
| TPSA: | 139.59 | NumAromaticRings: | 0 |
