Glycoside
GD153068
Name:
4,5-dihydroxy-2-[4-hydroxy-2-(hydroxymethyl)phenoxy]-6-(hydroxymethyl)oxan-3-yl cyclopent-2-ene-1-carboxylateFormula:
C19H24O9Smiles:
O=C(OC1C(Oc2ccc(O)cc2CO)OC(CO)C(O)C1O)C1C=CCC1Aglycone:
O=C(O)C1C=CCC1.OCc1cc(O)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | -0.42 | Num_rotatable_bonds: | 6 |
| MolWt: | 396.39 | Num_heavy_atoms: | 28 |
| TPSA: | 145.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD00674
Formula: C7H8O3
Smiles:
OCc1cc(O)ccc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.14 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 140.14 | Num_heavy_atoms: | 10 |
| TPSA: | 60.69 | NumAromaticRings: | 1 |
AD45979
Formula: C6H8O2
Smiles:
O=C(O)C1C=CCC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.13 | Num_heavy_atoms: | 8 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
