Glycoside
GD146493
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-4H-chromen-4-oneFormula:
C33H40O19Smiles:
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)oc2c1Aglycone:
COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc2c1Sugarmoiety:
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: | -2.28 | Num_rotatable_bonds: | 10 |
| MolWt: | 740.66 | Num_heavy_atoms: | 52 |
| TPSA: | 297.12 | NumAromaticRings: | 3 |
Unique Aglycone
AD01882
Formula: C16H12O6
Smiles:
COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc2c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 2 |
| MolWt: | 300.27 | Num_heavy_atoms: | 22 |
| TPSA: | 100.13 | NumAromaticRings: | 3 |
