Glycoside
GD150926
Name:
7-({2'-[3-(3,4-dihydroxyphenyl)prop-2-enoyl]-6-methyl-[2,2'-bioxane]-3,3',4,4',5,5'-hexyl}oxy)-5-hydroxy-2-(4-hydroxyphenyl)-3-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4H-chromen-4-oneFormula:
C47H54O27Smiles:
CC1OC(Oc2cc(O)c3c(=O)c(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)c(-c4ccc(O)cc4)oc3c2)(C2(C(=O)C=Cc3ccc(O)c(O)c3)OCC(O)C(O)C2O)C(O)C(O)C1OAglycone:
O=CC=Cc1ccc(O)c(O)c1.O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12Sugarmoiety:
CC1OC(O)(C2(O)OCC(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 27 | RingCount: | 8 |
| HBD: | 17 | FractionCSP3: | 0.49 |
| AlogP: | -5.0 | Num_rotatable_bonds: | 13 |
| MolWt: | 1050.92 | Num_heavy_atoms: | 74 |
| TPSA: | 455.8 | NumAromaticRings: | 4 |
Unique Aglycone
AD00022
Formula: C15H10O6
Smiles:
O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 286.24 | Num_heavy_atoms: | 21 |
| TPSA: | 111.13 | NumAromaticRings: | 3 |
AD03296
Formula: C9H8O3
Smiles:
O=CC=Cc1ccc(O)c(O)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 2 |
| MolWt: | 164.16 | Num_heavy_atoms: | 12 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
