Glycoside
GD155557
Name:
methyl 3-(3-hydroxy-4-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}phenyl)propanoateFormula:
C22H32O14Smiles:
COC(=O)CCc1ccc(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)c(O)c1Aglycone:
COC(=O)CCc1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.68 |
| AlogP: | -3.5 | Num_rotatable_bonds: | 9 |
| MolWt: | 520.48 | Num_heavy_atoms: | 36 |
| TPSA: | 225.06 | NumAromaticRings: | 1 |
Unique Aglycone
AD47772
Formula: C10H12O4
Smiles:
COC(=O)CCc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 3 |
| MolWt: | 196.2 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
