Glycoside
GD136129
Name:
3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl 3-(3,4-dihydroxyphenyl)prop-2-enoateFormula:
C21H22O11Smiles:
O=C(C=Cc1ccc(O)c(O)c1)Oc1ccc(OC2OC(CO)C(O)C(O)C2O)c(O)c1Aglycone:
O=C(C=Cc1ccc(O)c(O)c1)Oc1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.29 |
| AlogP: | -0.4 | Num_rotatable_bonds: | 6 |
| MolWt: | 450.4 | Num_heavy_atoms: | 32 |
| TPSA: | 186.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD55024
Formula: C15H12O6
Smiles:
O=C(C=Cc1ccc(O)c(O)c1)Oc1ccc(O)c(O)c1| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 2.13 | Num_rotatable_bonds: | 3 |
| MolWt: | 288.25 | Num_heavy_atoms: | 21 |
| TPSA: | 107.22 | NumAromaticRings: | 2 |
