Glycoside
GD138473
Name:
2-[5-(6-hydroxy-1-benzofuran-2-yl)-2-(3-methylbut-2-en-1-yl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C31H38O14Smiles:
CC(C)=CCc1c(OC2OC(CO)C(O)C(O)C2O)cc(-c2cc3ccc(O)cc3o2)cc1OC1OC(CO)C(O)C(O)C1OAglycone:
CC(C)=CCc1c(O)cc(-c2cc3ccc(O)cc3o2)cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.48 |
| AlogP: | -0.33 | Num_rotatable_bonds: | 9 |
| MolWt: | 634.63 | Num_heavy_atoms: | 45 |
| TPSA: | 232.13 | NumAromaticRings: | 3 |
Unique Aglycone
AD55890
Formula: C19H18O4
Smiles:
CC(C)=CCc1c(O)cc(-c2cc3ccc(O)cc3o2)cc1O| HBA: | 4 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.16 |
| AlogP: | 4.73 | Num_rotatable_bonds: | 3 |
| MolWt: | 310.35 | Num_heavy_atoms: | 23 |
| TPSA: | 73.83 | NumAromaticRings: | 3 |
