Glycoside
GD156966
Name:
4-(3-hydroxyphenyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butanoic acidFormula:
C16H22O9Smiles:
O=C(O)CCC(OC1OC(CO)C(O)C(O)C1O)c1cccc(O)c1Aglycone:
O=C(O)CCC(O)c1cccc(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | -0.89 | Num_rotatable_bonds: | 7 |
| MolWt: | 358.34 | Num_heavy_atoms: | 25 |
| TPSA: | 156.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD62100
Formula: C10H12O4
Smiles:
O=C(O)CCC(O)c1cccc(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.3 |
| AlogP: | 1.29 | Num_rotatable_bonds: | 4 |
| MolWt: | 196.2 | Num_heavy_atoms: | 14 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
