Glycoside
GD139242
Name:
2-{[3-(3,5-dihydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-6-hydroxy-2-(4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-7-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C40H42O18Smiles:
OCC1OC(Oc2c(O)cc(C3c4c(C=Cc5ccc(O)cc5)cc(O)c(OC5OC(CO)C(O)C(O)C5O)c4OC3c3ccc(O)cc3)cc2O)C(O)C(O)C1OAglycone:
Oc1ccc(C=Cc2cc(O)c(O)c3c2C(c2cc(O)c(O)c(O)c2)C(c2ccc(O)cc2)O3)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 7 |
| HBD: | 13 | FractionCSP3: | 0.35 |
| AlogP: | 0.01 | Num_rotatable_bonds: | 10 |
| MolWt: | 810.76 | Num_heavy_atoms: | 58 |
| TPSA: | 309.14 | NumAromaticRings: | 4 |
Unique Aglycone
AD56149
Formula: C28H22O8
Smiles:
Oc1ccc(C=Cc2cc(O)c(O)c3c2C(c2cc(O)c(O)c(O)c2)C(c2ccc(O)cc2)O3)cc1| HBA: | 8 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.07 |
| AlogP: | 5.06 | Num_rotatable_bonds: | 4 |
| MolWt: | 486.48 | Num_heavy_atoms: | 36 |
| TPSA: | 150.84 | NumAromaticRings: | 4 |
