Glycoside
GD131281
Name:
3,4,5-trihydroxy-6-({5-hydroxy-6-[(1-hydroxycyclohexyl)oxy]-2-{4-[2-(methylazaniumyl)ethoxy]phenyl}-4-oxo-4H-chromen-7-yl}oxy)oxane-2-carboxylateFormula:
C30H35O13NSmiles:
CNCCOc1ccc(-c2cc(=O)c3c(O)c(OC4(O)CCCCC4)c(OC4OC(C(=O)O)C(O)C(O)C4O)cc3o2)cc1Aglycone:
CNCCOc1ccc(-c2cc(=O)c3c(O)c(OC4(O)CCCCC4)c(O)cc3o2)cc1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.47 |
| AlogP: | 1.07 | Num_rotatable_bonds: | 10 |
| MolWt: | 617.6 | Num_heavy_atoms: | 44 |
| TPSA: | 217.61 | NumAromaticRings: | 3 |
Unique Aglycone
AD50608
Formula: C24H27O7N
Smiles:
CNCCOc1ccc(-c2cc(=O)c3c(O)c(OC4(O)CCCCC4)c(O)cc3o2)cc1| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | 3.5 | Num_rotatable_bonds: | 7 |
| MolWt: | 441.48 | Num_heavy_atoms: | 32 |
| TPSA: | 121.39 | NumAromaticRings: | 3 |
