Glycoside
GD150063
Name:
2-{[3-(3,5-dihydroxyphenyl)-6-[2-(4-hydroxyphenyl)ethenyl]-2-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-1-benzofuran-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C40H40O16Smiles:
OCC1OC(Oc2ccc(-c3oc4cc(C=Cc5ccc(O)cc5)cc(OC5OC(CO)C(O)C(O)C5O)c4c3-c3cc(O)cc(O)c3)cc2)C(O)C(O)C1OAglycone:
Oc1ccc(C=Cc2cc(O)c3c(-c4cc(O)cc(O)c4)c(-c4ccc(O)cc4)oc3c2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 11 | FractionCSP3: | 0.3 |
| AlogP: | 1.41 | Num_rotatable_bonds: | 10 |
| MolWt: | 776.74 | Num_heavy_atoms: | 56 |
| TPSA: | 272.59 | NumAromaticRings: | 5 |
Unique Aglycone
AD46753
Formula: C28H20O6
Smiles:
Oc1ccc(C=Cc2cc(O)c3c(-c4cc(O)cc(O)c4)c(-c4ccc(O)cc4)oc3c2)cc1| HBA: | 6 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | 6.47 | Num_rotatable_bonds: | 4 |
| MolWt: | 452.46 | Num_heavy_atoms: | 34 |
| TPSA: | 114.29 | NumAromaticRings: | 5 |
