Glycoside
GD121695
Name:
3,4,5-trihydroxy-6-({5-hydroxy-6-[hydroxy(3-hydroxyphenyl)methoxy]-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl}oxy)oxane-2-carboxylic acidFormula:
C29H26O14Smiles:
COc1ccc(-c2cc(=O)c3c(O)c(OC(O)c4cccc(O)c4)c(OC4OC(C(=O)O)C(O)C(O)C4O)cc3o2)cc1Aglycone:
COc1ccc(-c2cc(=O)c3c(O)c(OC(O)c4cccc(O)c4)c(O)cc3o2)cc1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.24 |
| AlogP: | 1.22 | Num_rotatable_bonds: | 8 |
| MolWt: | 598.51 | Num_heavy_atoms: | 43 |
| TPSA: | 225.81 | NumAromaticRings: | 4 |
Unique Aglycone
AD48998
Formula: C23H18O8
Smiles:
COc1ccc(-c2cc(=O)c3c(O)c(OC(O)c4cccc(O)c4)c(O)cc3o2)cc1| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.09 |
| AlogP: | 3.66 | Num_rotatable_bonds: | 5 |
| MolWt: | 422.39 | Num_heavy_atoms: | 31 |
| TPSA: | 129.59 | NumAromaticRings: | 4 |
