Glycoside
GD031352
Name:
5-hydroxy-7-methoxy-4-oxo-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-2-(3,4,5-trihydroxyphenyl)-4H-chromen-8-yl acetateFormula:
C24H24O14Smiles:
COc1cc(O)c2c(=O)c(O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)c(-c3cc(O)c(O)c(O)c3)oc2c1OC(C)=OAglycone:
COc1cc(O)c2c(=O)c(O)c(-c3cc(O)c(O)c(O)c3)oc2c1OC(C)=OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.33 |
| AlogP: | 0.42 | Num_rotatable_bonds: | 5 |
| MolWt: | 536.44 | Num_heavy_atoms: | 38 |
| TPSA: | 225.81 | NumAromaticRings: | 3 |
Unique Aglycone
AD20207
Formula: C18H14O10
Smiles:
COc1cc(O)c2c(=O)c(O)c(-c3cc(O)c(O)c(O)c3)oc2c1OC(C)=O| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.11 |
| AlogP: | 1.92 | Num_rotatable_bonds: | 3 |
| MolWt: | 390.3 | Num_heavy_atoms: | 28 |
| TPSA: | 166.89 | NumAromaticRings: | 3 |
