Glycoside
GD124163
Name:
7-{[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-5-hydroxy-6-methoxy-3-(2,4,5-trimethoxyphenyl)-4H-chromen-4-oneFormula:
C31H38O17Smiles:
COc1cc(OC)c(-c2coc3cc(OC4OC(CO)C(OC5OC(C)C(O)C(O)C5O)C(O)C4O)c(OC)c(O)c3c2=O)cc1OCAglycone:
COc1cc(OC)c(-c2coc3cc(O)c(OC)c(O)c3c2=O)cc1OCSugarmoiety:
CC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.52 |
| AlogP: | -0.77 | Num_rotatable_bonds: | 10 |
| MolWt: | 682.63 | Num_heavy_atoms: | 48 |
| TPSA: | 245.66 | NumAromaticRings: | 3 |
Unique Aglycone
AD08355
Formula: C19H18O8
Smiles:
COc1cc(OC)c(-c2coc3cc(O)c(OC)c(O)c3c2=O)cc1OC| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.21 |
| AlogP: | 2.91 | Num_rotatable_bonds: | 5 |
| MolWt: | 374.35 | Num_heavy_atoms: | 27 |
| TPSA: | 107.59 | NumAromaticRings: | 3 |
