Glycoside
GD155175
Name:
3-(4-hydroxyphenyl)-3-{6-[2-(4-hydroxyphenyl)ethenyl]-2-oxo-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H-pyran-3-yl}propanoic acidFormula:
C28H28O12Smiles:
O=C(O)CC(c1ccc(O)cc1)c1c(OC2OC(CO)C(O)C(O)C2O)cc(C=Cc2ccc(O)cc2)oc1=OAglycone:
O=C(O)CC(c1ccc(O)cc1)c1c(O)cc(C=Cc2ccc(O)cc2)oc1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.29 |
| AlogP: | 1.01 | Num_rotatable_bonds: | 9 |
| MolWt: | 556.52 | Num_heavy_atoms: | 40 |
| TPSA: | 207.35 | NumAromaticRings: | 3 |
Unique Aglycone
AD61567
Formula: C22H18O7
Smiles:
O=C(O)CC(c1ccc(O)cc1)c1c(O)cc(C=Cc2ccc(O)cc2)oc1=O| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.09 |
| AlogP: | 3.53 | Num_rotatable_bonds: | 6 |
| MolWt: | 394.38 | Num_heavy_atoms: | 29 |
| TPSA: | 128.2 | NumAromaticRings: | 3 |
