Glycoside
GD127630
Name:
3-[2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-3-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-2,3-dihydro-1-benzofuran-5-yl]prop-2-enalFormula:
C26H30O11Smiles:
COc1cc(C2Oc3c(OC)cc(C=CC=O)cc3C2COC2OC(CO)C(O)C(O)C2O)ccc1OAglycone:
COc1cc(C2Oc3c(OC)cc(C=CC=O)cc3C2CO)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | 0.66 | Num_rotatable_bonds: | 9 |
| MolWt: | 518.52 | Num_heavy_atoms: | 37 |
| TPSA: | 164.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD19445
Formula: C20H20O6
Smiles:
COc1cc(C2Oc3c(OC)cc(C=CC=O)cc3C2CO)ccc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 2.83 | Num_rotatable_bonds: | 6 |
| MolWt: | 356.37 | Num_heavy_atoms: | 26 |
| TPSA: | 85.22 | NumAromaticRings: | 2 |
