Glycoside
GD132672
Name:
3-(3,4-dihydroxyphenyl)-5-hydroxy-7-{[6'-(hydroxymethyl)-6-methyl-[2,2'-bioxane]-3,3',4,4',5,5'-hexyl]oxy}-4H-chromen-4-oneFormula:
C27H30O15Smiles:
CC1OC(Oc2cc(O)c3c(=O)c(-c4ccc(O)c(O)c4)coc3c2)(C2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
O=c1c(-c2ccc(O)c(O)c2)coc2cc(O)cc(O)c12Sugarmoiety:
CC1OC(O)(C2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.44 |
| AlogP: | -2.0 | Num_rotatable_bonds: | 5 |
| MolWt: | 594.52 | Num_heavy_atoms: | 42 |
| TPSA: | 260.2 | NumAromaticRings: | 3 |
Unique Aglycone
AD16357
Formula: C15H10O6
Smiles:
O=c1c(-c2ccc(O)c(O)c2)coc2cc(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 |
