Glycoside
GD114642
Name:
7-[(acetyloxy)methyl]-5-hydroxy-1-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylic acidFormula:
C18H24O12Smiles:
CC(=O)OCC1=CC(O)C2C(C(=O)O)=COC(OCC3OC(O)C(O)C(O)C3O)C12Aglycone:
COC1OC=C(C(=O)O)C2C(O)C=C(COC(C)=O)C12Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.67 |
| AlogP: | -2.78 | Num_rotatable_bonds: | 6 |
| MolWt: | 432.38 | Num_heavy_atoms: | 30 |
| TPSA: | 192.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD45182
Formula: C13H16O7
Smiles:
COC1OC=C(C(=O)O)C2C(O)C=C(COC(C)=O)C12| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.54 |
| AlogP: | 0.05 | Num_rotatable_bonds: | 4 |
| MolWt: | 284.26 | Num_heavy_atoms: | 20 |
| TPSA: | 102.29 | NumAromaticRings: | 0 |
