Glycoside
GD146612
Name:
butyl 2-hydroxy-3-(3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)propanoateFormula:
C19H28O10Smiles:
CCCCOC(=O)C(O)Cc1ccc(OC2OC(CO)C(O)C(O)C2O)c(O)c1Aglycone:
CCCCOC(=O)C(O)Cc1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.63 |
| AlogP: | -1.18 | Num_rotatable_bonds: | 9 |
| MolWt: | 416.42 | Num_heavy_atoms: | 29 |
| TPSA: | 166.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD58770
Formula: C13H18O5
Smiles:
CCCCOC(=O)C(O)Cc1ccc(O)c(O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.46 |
| AlogP: | 1.34 | Num_rotatable_bonds: | 6 |
| MolWt: | 254.28 | Num_heavy_atoms: | 18 |
| TPSA: | 86.99 | NumAromaticRings: | 1 |
