Glycoside
GD137064
Name:
2-{[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-5-(3-hydroxyprop-1-en-1-yl)-2,3-dihydro-1-benzofuran-7-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C25H30O11Smiles:
COc1cc(C2Oc3c(OC4OC(CO)C(O)C(O)C4O)cc(C=CCO)cc3C2CO)ccc1OAglycone:
COc1cc(C2Oc3c(O)cc(C=CCO)cc3C2CO)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.44 |
| AlogP: | -0.21 | Num_rotatable_bonds: | 8 |
| MolWt: | 506.5 | Num_heavy_atoms: | 36 |
| TPSA: | 178.53 | NumAromaticRings: | 2 |
Unique Aglycone
AD55392
Formula: C19H20O6
Smiles:
COc1cc(C2Oc3c(O)cc(C=CCO)cc3C2CO)ccc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.26 |
| AlogP: | 2.32 | Num_rotatable_bonds: | 5 |
| MolWt: | 344.36 | Num_heavy_atoms: | 25 |
| TPSA: | 99.38 | NumAromaticRings: | 2 |
