Glycoside
GD117046
Name:
6-[6-({6-[(6-amino-5-ethylpyridin-3-yl)methyl]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl}oxy)-3,4,5-trihydroxyoxane-2-carbonyloxy]-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C35H36O18N2Smiles:
CCc1cc(Cc2c(OC3OC(C(=O)OC4OC(C(=O)O)C(O)C(O)C4O)C(O)C(O)C3O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)cnc1NAglycone:
CCc1cc(Cc2c(O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)cnc1NSugarmoiety:
O=C(OC1OC(C(=O)O)C(O)C(O)C1O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.37 |
| AlogP: | -1.67 | Num_rotatable_bonds: | 9 |
| MolWt: | 772.67 | Num_heavy_atoms: | 55 |
| TPSA: | 342.48 | NumAromaticRings: | 4 |
Unique Aglycone
AD46601
Formula: C23H20O6N2
Smiles:
CCc1cc(Cc2c(O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)cnc1N| HBA: | 8 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.13 |
| AlogP: | 3.41 | Num_rotatable_bonds: | 4 |
| MolWt: | 420.42 | Num_heavy_atoms: | 31 |
| TPSA: | 150.04 | NumAromaticRings: | 4 |
