Glycoside
GD114354
Name:
4-(3,5-dimethoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-hexahydrofuro[3,4-c]furan-1-oneFormula:
C20H26O11Smiles:
COc1cc(C2OCC3C(=O)OCC32)cc(OC)c1OC1OC(CO)C(O)C(O)C1OAglycone:
COc1cc(C2OCC3C(=O)OCC32)cc(OC)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.65 |
| AlogP: | -1.26 | Num_rotatable_bonds: | 6 |
| MolWt: | 442.42 | Num_heavy_atoms: | 31 |
| TPSA: | 153.37 | 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 |
