Glycoside
GD121937
Name:
2-(3,4-dihydroxyphenyl)-7-hydroxy-4-oxo-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-5-yl 4-hydroxybenzoateFormula:
C28H24O14Smiles:
O=C(Oc1cc(O)cc2oc(-c3ccc(O)c(O)c3)c(OC3OC(CO)C(O)C(O)C3O)c(=O)c12)c1ccc(O)cc1Aglycone:
O=C(Oc1cc(O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c12)c1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.21 |
| AlogP: | 0.68 | Num_rotatable_bonds: | 6 |
| MolWt: | 584.49 | Num_heavy_atoms: | 42 |
| TPSA: | 236.81 | NumAromaticRings: | 4 |
Unique Aglycone
AD49111
Formula: C22H14O9
Smiles:
O=C(Oc1cc(O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c12)c1ccc(O)cc1| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | 3.21 | Num_rotatable_bonds: | 3 |
| MolWt: | 422.35 | Num_heavy_atoms: | 31 |
| TPSA: | 157.66 | NumAromaticRings: | 4 |
