Glycoside
GD136893
Name:
7-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-3-(2-hydroxy-4,5-dimethoxyphenyl)-5,6-dimethoxy-4H-chromen-4-oneFormula:
C30H36O17Smiles:
COc1cc(O)c(-c2coc3cc(OC4OC(COC5OCC(O)(CO)C5O)C(O)C(O)C4O)c(OC)c(OC)c3c2=O)cc1OCAglycone:
COc1cc(O)c(-c2coc3cc(O)c(OC)c(OC)c3c2=O)cc1OCSugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -1.16 | Num_rotatable_bonds: | 11 |
| MolWt: | 668.6 | Num_heavy_atoms: | 47 |
| TPSA: | 245.66 | NumAromaticRings: | 3 |
Unique Aglycone
AD55326
Formula: C19H18O8
Smiles:
COc1cc(O)c(-c2coc3cc(O)c(OC)c(OC)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 |
