Glycoside
GD121961
Name:
3-[4-({3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-3-methoxyphenyl]-7-{[3-(3,4-dimethoxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl]oxy}-5-hydroxy-4H-chromen-4-oneFormula:
C45H44O19Smiles:
COc1ccc(-c2coc3cc(Oc4cc(O)c5c(=O)c(-c6ccc(OC7OC(C)C(OC8OC(C)C(O)C(O)C8O)C(O)C7O)c(OC)c6)coc5c4)cc(O)c3c2=O)cc1OCAglycone:
COc1cc(-c2coc3cc(Oc4cc(O)c5c(=O)c(-c6ccc(OC)c(OC)c6)coc5c4)cc(O)c3c2=O)ccc1OSugarmoiety:
CC1OC(OC2C(C)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.33 |
| AlogP: | 3.52 | Num_rotatable_bonds: | 11 |
| MolWt: | 888.83 | Num_heavy_atoms: | 64 |
| TPSA: | 275.87 | NumAromaticRings: | 6 |
Unique Aglycone
AD49119
Formula: C33H24O11
Smiles:
COc1cc(-c2coc3cc(Oc4cc(O)c5c(=O)c(-c6ccc(OC)c(OC)c6)coc5c4)cc(O)c3c2=O)ccc1O| HBA: | 11 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.09 |
| AlogP: | 6.17 | Num_rotatable_bonds: | 7 |
| MolWt: | 596.54 | Num_heavy_atoms: | 44 |
| TPSA: | 158.03 | NumAromaticRings: | 6 |
