Glycoside
GD146332
Name:
6-[6-({6-[(6-aminopyridin-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:
C33H32O18N2Smiles:
N=c1ccc(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)c[nH]1Aglycone:
N=c1ccc(Cc2c(O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)c[nH]1Sugarmoiety:
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: | 0.33 |
| AlogP: | -2.4 | Num_rotatable_bonds: | 8 |
| MolWt: | 744.62 | Num_heavy_atoms: | 53 |
| TPSA: | 343.21 | NumAromaticRings: | 4 |
Unique Aglycone
AD48566
Formula: C21H16O6N2
Smiles:
N=c1ccc(Cc2c(O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)c[nH]1| HBA: | 8 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.05 |
| AlogP: | 2.68 | Num_rotatable_bonds: | 3 |
| MolWt: | 392.37 | Num_heavy_atoms: | 29 |
| TPSA: | 150.77 | NumAromaticRings: | 4 |
