Glycoside
GD133886
Name:
2-{3,4-dihydroxy-5-[(2,3,4-trihydroxy-5-methylcyclohexyl)oxy]phenyl}-5,7-dihydroxy-3-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-4H-chromen-4-oneFormula:
C34H42O20Smiles:
CC1CC(Oc2cc(-c3oc4cc(O)cc(O)c4c(=O)c3OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)cc(O)c2O)C(O)C(O)C1OAglycone:
CC1CC(Oc2cc(-c3oc4cc(O)cc(O)c4c(=O)c3O)cc(O)c2O)C(O)C(O)C1OSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 13 | FractionCSP3: | 0.56 |
| AlogP: | -2.82 | Num_rotatable_bonds: | 8 |
| MolWt: | 770.69 | Num_heavy_atoms: | 54 |
| TPSA: | 339.35 | NumAromaticRings: | 3 |
Unique Aglycone
AD54166
Formula: C22H22O11
Smiles:
CC1CC(Oc2cc(-c3oc4cc(O)cc(O)c4c(=O)c3O)cc(O)c2O)C(O)C(O)C1O| HBA: | 11 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.32 |
| AlogP: | 0.86 | Num_rotatable_bonds: | 3 |
| MolWt: | 462.41 | Num_heavy_atoms: | 33 |
| TPSA: | 201.28 | NumAromaticRings: | 3 |
