Glycoside
GD140718
Name:
3-(3,6-dihydroxy-2-oxo-3a-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-hexahydrofuro[3,2-b]furan-3-yl)-3-(4-hydroxyphenyl)propanoic acidFormula:
C21H26O14Smiles:
O=C(O)CC(c1ccc(O)cc1)C1(O)C(=O)OC2C(O)COC21OC1OC(CO)C(O)C(O)C1OAglycone:
O=C(O)CC(c1ccc(O)cc1)C1(O)C(=O)OC2C(O)COC21OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.62 |
| AlogP: | -3.49 | Num_rotatable_bonds: | 7 |
| MolWt: | 502.43 | Num_heavy_atoms: | 35 |
| TPSA: | 232.9 | NumAromaticRings: | 1 |
Unique Aglycone
AD56735
Formula: C15H16O9
Smiles:
O=C(O)CC(c1ccc(O)cc1)C1(O)C(=O)OC2C(O)COC21O| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.47 |
| AlogP: | -1.31 | Num_rotatable_bonds: | 4 |
| MolWt: | 340.28 | Num_heavy_atoms: | 24 |
| TPSA: | 153.75 | NumAromaticRings: | 1 |
