Glycoside
GD135169
Name:
3-{[2-({[4,5-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-5,6-dihydroxy-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-8-(3-methylbut-2-en-1-yl)-4H-chromen-4-oneFormula:
C38H48O19Smiles:
COc1cc(O)c2c(=O)c(OC3C(COC4CC(O)(CO)C(O)O4)OC(O)C(O)C3OC3OC(C)C(O)C(O)C3O)c(-c3ccc(O)cc3)oc2c1CC=C(C)CAglycone:
COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc2c1CC=C(C)CSugarmoiety:
CC1OC(OC2C(O)C(O)OC(COC3CC(O)(CO)C(O)O3)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.55 |
| AlogP: | -0.77 | Num_rotatable_bonds: | 12 |
| MolWt: | 808.78 | Num_heavy_atoms: | 57 |
| TPSA: | 297.12 | NumAromaticRings: | 3 |
Unique Aglycone
AD53880
Formula: C21H20O6
Smiles:
COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc2c1CC=C(C)C| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.19 |
| AlogP: | 4.09 | Num_rotatable_bonds: | 4 |
| MolWt: | 368.39 | Num_heavy_atoms: | 27 |
| TPSA: | 100.13 | NumAromaticRings: | 3 |
