Glycoside
GD155472
Name:
2-{4-[3-(3,5-dihydroxyphenyl)-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[2-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethyl]-2,3-dihydro-1-benzofuran-2-yl]phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C46H54O21Smiles:
OCC1OC(Oc2ccc(CCc3cc(OC4OC(CO)C(O)C(O)C4O)cc4c3C(c3cc(O)cc(O)c3)C(c3ccc(OC5OC(CO)C(O)C(O)C5O)cc3)O4)cc2)C(O)C(O)C1OAglycone:
Oc1ccc(CCc2cc(O)cc3c2C(c2cc(O)cc(O)c2)C(c2ccc(O)cc2)O3)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 8 |
| HBD: | 14 | FractionCSP3: | 0.48 |
| AlogP: | -2.32 | Num_rotatable_bonds: | 14 |
| MolWt: | 942.92 | Num_heavy_atoms: | 67 |
| TPSA: | 347.83 | NumAromaticRings: | 4 |
Unique Aglycone
AD55501
Formula: C28H24O6
Smiles:
Oc1ccc(CCc2cc(O)cc3c2C(c2cc(O)cc(O)c2)C(c2ccc(O)cc2)O3)cc1| HBA: | 6 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.14 |
| AlogP: | 5.27 | Num_rotatable_bonds: | 5 |
| MolWt: | 456.49 | Num_heavy_atoms: | 34 |
| TPSA: | 110.38 | NumAromaticRings: | 4 |
