Glycoside
GD128591
Name:
3-(3,4-dihydroxyphenyl)-1-(2,3,6-trihydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-en-1-oneFormula:
C21H22O12Smiles:
O=C(C=Cc1ccc(O)c(O)c1)c1c(O)cc(OC2OC(CO)C(O)C(O)C2O)c(O)c1OAglycone:
O=C(C=Cc1ccc(O)c(O)c1)c1c(O)cc(O)c(O)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.29 |
| AlogP: | -0.71 | Num_rotatable_bonds: | 6 |
| MolWt: | 466.4 | Num_heavy_atoms: | 33 |
| TPSA: | 217.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD52089
Formula: C15H12O7
Smiles:
O=C(C=Cc1ccc(O)c(O)c1)c1c(O)cc(O)c(O)c1O| HBA: | 7 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.0 |
| AlogP: | 1.82 | Num_rotatable_bonds: | 3 |
| MolWt: | 304.25 | Num_heavy_atoms: | 22 |
| TPSA: | 138.45 | NumAromaticRings: | 2 |
