Glycoside
GD125311
Name:
5-(acetyloxy)-7-[(acetyloxy)methyl]-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylic acidFormula:
C20H26O13Smiles:
CC(=O)OCC1=CC(OC(C)=O)C2C(C(=O)O)=COC(OC3OC(CO)C(O)C(O)C3O)C12Aglycone:
CC(=O)OCC1=CC(OC(C)=O)C2C(C(=O)O)=COC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.65 |
| AlogP: | -2.21 | Num_rotatable_bonds: | 7 |
| MolWt: | 474.42 | Num_heavy_atoms: | 33 |
| TPSA: | 198.51 | NumAromaticRings: | 0 |
Unique Aglycone
AD50675
Formula: C14H16O8
Smiles:
CC(=O)OCC1=CC(OC(C)=O)C2C(C(=O)O)=COC(O)C12| HBA: | 8 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 4 |
| MolWt: | 312.27 | Num_heavy_atoms: | 22 |
| TPSA: | 119.36 | NumAromaticRings: | 0 |
