Glycoside
GD137750
Name:
3,4,5-trihydroxy-6-[(5-hydroxy-6-methoxy-2-{4-[2-(methylazaniumyl)ethoxy]phenyl}-4-oxo-4H-chromen-7-yl)oxy]oxane-2-carboxylateFormula:
C25H27O12NSmiles:
CNCCOc1ccc(-c2cc(=O)c3c(O)c(OC)c(OC4OC(C(=O)O)C(O)C(O)C4O)cc3o2)cc1Aglycone:
CNCCOc1ccc(-c2cc(=O)c3c(O)c(OC)c(O)cc3o2)cc1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.36 |
| AlogP: | 0.04 | Num_rotatable_bonds: | 9 |
| MolWt: | 533.49 | Num_heavy_atoms: | 38 |
| TPSA: | 197.38 | NumAromaticRings: | 3 |
Unique Aglycone
AD55634
Formula: C19H19O6N
Smiles:
CNCCOc1ccc(-c2cc(=O)c3c(O)c(OC)c(O)cc3o2)cc1| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.21 |
| AlogP: | 2.48 | Num_rotatable_bonds: | 6 |
| MolWt: | 357.36 | Num_heavy_atoms: | 26 |
| TPSA: | 101.16 | NumAromaticRings: | 3 |
