Glycoside
GD156529
Name:
2-{4-[3-(3,5-dihydroxyphenyl)-6-[2-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethenyl]-2,3-dihydro-1-benzofuran-2-yl]phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C40H42O15Smiles:
OCC1OC(Oc2ccc(C=Cc3ccc4c(c3)OC(c3ccc(OC5OC(CO)C(O)C(O)C5O)cc3)C4c3cc(O)cc(O)c3)cc2)C(O)C(O)C1OAglycone:
Oc1ccc(C=Cc2ccc3c(c2)OC(c2ccc(O)cc2)C3c2cc(O)cc(O)c2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.35 |
| AlogP: | 0.89 | Num_rotatable_bonds: | 10 |
| MolWt: | 762.76 | Num_heavy_atoms: | 55 |
| TPSA: | 248.45 | NumAromaticRings: | 4 |
Unique Aglycone
AD61968
Formula: C28H22O5
Smiles:
Oc1ccc(C=Cc2ccc3c(c2)OC(c2ccc(O)cc2)C3c2cc(O)cc(O)c2)cc1| HBA: | 5 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.07 |
| AlogP: | 5.95 | Num_rotatable_bonds: | 4 |
| MolWt: | 438.48 | Num_heavy_atoms: | 33 |
| TPSA: | 90.15 | NumAromaticRings: | 4 |
