Glycoside
GD153491
Name:
5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-7-yl 3,4,5-trihydroxybenzoateFormula:
C28H24O14Smiles:
O=C(Oc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1C1OC(CO)C(O)C(O)C1O)c1cc(O)c(O)c(O)c1Aglycone:
O=C(Oc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1)c1cc(O)c(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.21 |
| AlogP: | 0.72 | Num_rotatable_bonds: | 5 |
| MolWt: | 584.49 | Num_heavy_atoms: | 42 |
| TPSA: | 247.81 | NumAromaticRings: | 4 |
Unique Aglycone
AD49900
Formula: C22H14O9
Smiles:
O=C(Oc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1)c1cc(O)c(O)c(O)c1| 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 |
