Glycoside

GD026648
Name:
6-(4,5-dihydroxy-6-methyloxan-2-yl)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-oneFormula:
C28H32O14Smiles:
COc1ccc(-c2cc(=O)c3c(O)c([C@@H]4C[C@H](O)[C@H](O)[C@H](C)O4)c(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)cc3o2)cc1OAglycone:
COc1ccc(-c2cc(=O)c3c(O)c(C4CC(O)C(O)C(C)O4)c(O)cc3o2)cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 14 | RingCount: | 5 |
HBD: | 8 | FractionCSP3: | 0.46 |
AlogP: | -0.37 | Num_rotatable_bonds: | 6 |
MolWt: | 592.55 | Num_heavy_atoms: | 42 |
TPSA: | 228.97 | NumAromaticRings: | 3 |
Unique Aglycone
AD17556
Formula: C22H22O9
Smiles:
COc1ccc(-c2cc(=O)c3c(O)c(C4CC(O)C(O)C(C)O4)c(O)cc3o2)cc1OHBA: | 9 | RingCount: | 4 |
HBD: | 5 | FractionCSP3: | 0.32 |
AlogP: | 2.16 | Num_rotatable_bonds: | 3 |
MolWt: | 430.41 | Num_heavy_atoms: | 31 |
TPSA: | 149.82 | NumAromaticRings: | 3 |