Glycoside
GD138152
Name:
2-{[2-(4-hydroxy-3,5-dimethoxyphenyl)-5-(3-hydroxypropyl)-7-methoxy-1-benzofuran-3-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C27H34O12Smiles:
COc1cc(-c2oc3c(OC)cc(CCCO)cc3c2COC2OC(CO)C(O)C(O)C2O)cc(OC)c1OAglycone:
COc1cc(-c2oc3c(OC)cc(CCCO)cc3c2CO)cc(OC)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | 1.07 | Num_rotatable_bonds: | 11 |
| MolWt: | 550.56 | Num_heavy_atoms: | 39 |
| TPSA: | 180.67 | NumAromaticRings: | 3 |
Unique Aglycone
AD55789
Formula: C21H24O7
Smiles:
COc1cc(-c2oc3c(OC)cc(CCCO)cc3c2CO)cc(OC)c1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 3.25 | Num_rotatable_bonds: | 8 |
| MolWt: | 388.42 | Num_heavy_atoms: | 28 |
| TPSA: | 101.52 | NumAromaticRings: | 3 |
