Glycoside
GD141257
Name:
3-({2-[3,3',4,4',5,5'-hexahydroxy-6'-(hydroxymethyl)-6-methyl-[2,2'-bioxan]-2-yl]-3,4,5-trihydroxy-6-methyloxan-2-yl}oxy)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-oneFormula:
C34H42O20Smiles:
COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC2(C3(C4OC(CO)C(O)C(O)C4O)OC(C)C(O)C(O)C3O)OC(C)C(O)C(O)C2O)ccc1OAglycone:
COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1OSugarmoiety:
CC1OC(O)(C2(C3OC(CO)C(O)C(O)C3O)OC(C)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 13 | FractionCSP3: | 0.56 |
| AlogP: | -3.76 | Num_rotatable_bonds: | 7 |
| MolWt: | 770.69 | Num_heavy_atoms: | 54 |
| TPSA: | 339.35 | NumAromaticRings: | 3 |
Unique Aglycone
AD01682
Formula: C16H12O7
Smiles:
COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.06 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 2 |
| MolWt: | 316.26 | Num_heavy_atoms: | 23 |
| TPSA: | 120.36 | NumAromaticRings: | 3 |
