Glycoside
GD114803
Name:
7-[(benzoyloxy)methyl]-1-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylic acidFormula:
C28H34O15Smiles:
O=C(O)C1=COC(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)C2C(COC(=O)c3ccccc3)=CCC12Aglycone:
O=C(O)C1=COC(O)C2C(COC(=O)c3ccccc3)=CCC12Sugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.57 |
| AlogP: | -1.99 | Num_rotatable_bonds: | 9 |
| MolWt: | 610.57 | Num_heavy_atoms: | 43 |
| TPSA: | 231.13 | NumAromaticRings: | 1 |
Unique Aglycone
AD45294
Formula: C17H16O6
Smiles:
O=C(O)C1=COC(O)C2C(COC(=O)c3ccccc3)=CCC12| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | 1.72 | Num_rotatable_bonds: | 4 |
| MolWt: | 316.31 | Num_heavy_atoms: | 23 |
| TPSA: | 93.06 | NumAromaticRings: | 1 |
