Glycoside
GD122683
Name:
7-(3,4-dihydroxycyclohexyl)-11-hydroxy-3-[methoxy(oxo)methane]-6-[(3,4,5-trihydroxy-6-{[(3-methoxy-3-oxopropanoyl)oxy]methyl}oxan-2-yl)oxy]-2,8-dioxatricyclo[7.3.1.0âµ,¹³]tridecan-8-ium-10-ylFormula:
C29H28O16Smiles:
COC(=O)CC(=O)OCC1OC(Oc2c3cc(=C([O])OC)oc4cc(O)cc([oH+]c2-c2ccc(O)c(O)c2)c4-3)C(O)C(O)C1OAglycone:
COC(=O)CC(=O)OC.COC(O)=c1cc2c(O)c(-c3ccc(O)c(O)c3)[oH+]c3cc(O)cc(o1)c3-2Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.31 |
| AlogP: | 0.74 | Num_rotatable_bonds: | 8 |
| MolWt: | 632.53 | Num_heavy_atoms: | 45 |
| TPSA: | 247.51 | NumAromaticRings: | 2 |
Unique Aglycone
AD21942
Formula: C5H8O4
Smiles:
COC(=O)CC(=O)OC| HBA: | 4 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.6 |
| AlogP: | -0.28 | Num_rotatable_bonds: | 2 |
| MolWt: | 132.12 | Num_heavy_atoms: | 9 |
| TPSA: | 52.6 | NumAromaticRings: | 0 |
AD49464
Formula: C19H15O8
Smiles:
COC(O)=c1cc2c(O)c(-c3ccc(O)c(O)c3)[oH+]c3cc(O)cc(o1)c3-2| HBA: | 8 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.05 |
| AlogP: | 3.28 | Num_rotatable_bonds: | 2 |
| MolWt: | 371.32 | Num_heavy_atoms: | 27 |
| TPSA: | 136.32 | NumAromaticRings: | 2 |
