Glycoside
GD123904
Name:
3,4,5-trihydroxy-6-{[5-hydroxy-6-(hydroxymethoxy)-2-{4-[2-(methylazaniumyl)ethoxy]phenyl}-4-oxo-4H-chromen-7-yl]oxy}oxane-2-carboxylateFormula:
C25H27O13NSmiles:
CNCCOc1ccc(-c2cc(=O)c3c(O)c(OCO)c(OC4OC(C(=O)O)C(O)C(O)C4O)cc3o2)cc1Aglycone:
CNCCOc1ccc(-c2cc(=O)c3c(O)c(OCO)c(O)cc3o2)cc1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.36 |
| AlogP: | -0.64 | Num_rotatable_bonds: | 10 |
| MolWt: | 549.49 | Num_heavy_atoms: | 39 |
| TPSA: | 217.61 | NumAromaticRings: | 3 |
Unique Aglycone
AD50029
Formula: C19H19O7N
Smiles:
CNCCOc1ccc(-c2cc(=O)c3c(O)c(OCO)c(O)cc3o2)cc1| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.21 |
| AlogP: | 1.8 | Num_rotatable_bonds: | 7 |
| MolWt: | 373.36 | Num_heavy_atoms: | 27 |
| TPSA: | 121.39 | NumAromaticRings: | 3 |
