Glycoside
GD120249
Name:
5-methoxy-7-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-1,3-dihydro-2-benzofuran-1-oneFormula:
C20H26O13Smiles:
COc1cc2c(c(OC3OC(COC4OCC(O)C(O)C4O)C(O)C(O)C3O)c1)C(=O)OC2Aglycone:
COc1cc(O)c2c(c1)COC2=OSugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.65 |
| AlogP: | -2.99 | Num_rotatable_bonds: | 6 |
| MolWt: | 474.42 | Num_heavy_atoms: | 33 |
| TPSA: | 193.83 | NumAromaticRings: | 1 |
Unique Aglycone
AD20469
Formula: C9H8O4
Smiles:
COc1cc(O)c2c(c1)COC2=O| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.07 | Num_rotatable_bonds: | 1 |
| MolWt: | 180.16 | Num_heavy_atoms: | 13 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
