Glycoside
GD138725
Name:
5-hydroxy-7-(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-1-(3-methoxy-4-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}phenyl)hepta-1,4,6-trien-3-oneFormula:
C39H50O21Smiles:
COc1cc(C=CC(O)=CC(=O)C=Cc2ccc(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)c(OC)c2)ccc1OC1OC(CO)C(O)C(O)C1OAglycone:
COc1cc(C=CC(=O)C=C(O)C=Cc2ccc(O)c(OC)c2)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 5 |
| HBD: | 12 | FractionCSP3: | 0.51 |
| AlogP: | -3.38 | Num_rotatable_bonds: | 16 |
| MolWt: | 854.81 | Num_heavy_atoms: | 60 |
| TPSA: | 333.67 | NumAromaticRings: | 2 |
Unique Aglycone
AD14380
Formula: C21H20O6
Smiles:
COc1cc(C=CC(=O)C=C(O)C=Cc2ccc(O)c(OC)c2)ccc1O| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.1 |
| AlogP: | 3.85 | Num_rotatable_bonds: | 7 |
| MolWt: | 368.39 | Num_heavy_atoms: | 27 |
| TPSA: | 96.22 | NumAromaticRings: | 2 |
