Glycoside
GD124388
Name:
4-{4-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-3,5-dimethoxyphenyl}-hexahydrofuro[3,4-c]furan-1-oneFormula:
C25H34O15Smiles:
COc1cc(C2OCC3C(=O)OCC32)cc(OC)c1OC1OC(CO)C(O)C(O)C1OC1OCC(O)(CO)C1OAglycone:
COc1cc(C2OCC3C(=O)OCC32)cc(OC)c1OSugarmoiety:
OCC1OC(O)C(OC2OCC(O)(CO)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.72 |
| AlogP: | -2.79 | Num_rotatable_bonds: | 9 |
| MolWt: | 574.53 | Num_heavy_atoms: | 40 |
| TPSA: | 212.29 | NumAromaticRings: | 1 |
Unique Aglycone
AD45007
Formula: C14H16O6
Smiles:
COc1cc(C2OCC3C(=O)OCC32)cc(OC)c1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 1.27 | Num_rotatable_bonds: | 3 |
| MolWt: | 280.28 | Num_heavy_atoms: | 20 |
| TPSA: | 74.22 | NumAromaticRings: | 1 |
