Glycoside
GD116993
Name:
7-{[6-(hydroxymethyl)-6'-methyl-[2,2'-bioxane]-3,3',4,4',5,5'-hexyl]oxy}-3-(4-hydroxyphenyl)-4H-chromen-4-oneFormula:
C27H30O13Smiles:
CC1OC(C2(Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c3)OC(CO)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12Sugarmoiety:
CC1OC(C2(O)OC(CO)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.44 |
| AlogP: | -1.42 | Num_rotatable_bonds: | 5 |
| MolWt: | 562.52 | Num_heavy_atoms: | 40 |
| TPSA: | 219.74 | NumAromaticRings: | 3 |
Unique Aglycone
AD04556
Formula: C15H10O4
Smiles:
O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.87 | Num_rotatable_bonds: | 1 |
| MolWt: | 254.24 | Num_heavy_atoms: | 19 |
| TPSA: | 70.67 | NumAromaticRings: | 3 |
