Glycoside
GD157400
Name:
7-(hydroxymethyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylic acidFormula:
C16H22O10Smiles:
O=C(O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1=CCC2COAglycone:
O=C(O)C1=COC(O)C2C1=CCC2COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.69 |
| AlogP: | -2.32 | Num_rotatable_bonds: | 5 |
| MolWt: | 374.34 | Num_heavy_atoms: | 26 |
| TPSA: | 166.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD62232
Formula: C10H12O5
Smiles:
O=C(O)C1=COC(O)C2C1=CCC2CO| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 2 |
| MolWt: | 212.2 | Num_heavy_atoms: | 15 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
