Glycoside
GD139581
Name:
2-(hydroxymethyl)-6-{5-methoxy-2-[8-(3-methylbut-2-en-1-yl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-2-yl]phenoxy}oxane-3,4,5-triolFormula:
C33H44O14Smiles:
COc1ccc(C2CCc3ccc(OC4OC(CO)C(O)C(O)C4O)c(CC=C(C)C)c3O2)c(OC2OC(CO)C(O)C(O)C2O)c1Aglycone:
COc1ccc(C2CCc3ccc(O)c(CC=C(C)C)c3O2)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.58 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 10 |
| MolWt: | 664.7 | Num_heavy_atoms: | 47 |
| TPSA: | 217.22 | NumAromaticRings: | 2 |
Unique Aglycone
AD56288
Formula: C21H24O4
Smiles:
COc1ccc(C2CCc3ccc(O)c(CC=C(C)C)c3O2)c(O)c1| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 4.68 | Num_rotatable_bonds: | 4 |
| MolWt: | 340.42 | Num_heavy_atoms: | 25 |
| TPSA: | 58.92 | NumAromaticRings: | 2 |
