Glycoside
GD130618
Name:
2-(hydroxymethyl)-6-(3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-[2-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethenyl]phenoxy)oxane-3,4,5-triolFormula:
C32H42O18Smiles:
OCC1OC(Oc2ccc(C=Cc3cc(OC4OC(CO)C(O)C(O)C4O)cc(OC4OC(CO)C(O)C(O)C4O)c3)cc2)C(O)C(O)C1OAglycone:
Oc1ccc(C=Cc2cc(O)cc(O)c2)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: | 18 | RingCount: | 5 |
| HBD: | 12 | FractionCSP3: | 0.56 |
| AlogP: | -4.61 | Num_rotatable_bonds: | 11 |
| MolWt: | 714.67 | Num_heavy_atoms: | 50 |
| TPSA: | 298.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD01773
Formula: C14H12O3
Smiles:
Oc1ccc(C=Cc2cc(O)cc(O)c2)cc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 2.97 | Num_rotatable_bonds: | 2 |
| MolWt: | 228.25 | Num_heavy_atoms: | 17 |
| TPSA: | 60.69 | NumAromaticRings: | 2 |
