Glycoside
GD148164
Name:
methyl 4-(3-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)butanoateFormula:
C17H24O9Smiles:
COC(=O)CCCc1cc(O)cc(OC2OC(CO)C(O)C(O)C2O)c1Aglycone:
COC(=O)CCCc1cc(O)cc(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.59 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 7 |
| MolWt: | 372.37 | Num_heavy_atoms: | 26 |
| TPSA: | 145.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD59301
Formula: C11H14O4
Smiles:
COC(=O)CCCc1cc(O)cc(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.36 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 4 |
| MolWt: | 210.23 | Num_heavy_atoms: | 15 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
