Glycoside
GD137465
Name:
3-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C23H26O12Smiles:
COc1cc(OC2OC(CO)C(O)C(O)C2O)c2c(c1)OC(c1ccc(O)c(OC)c1)C(O)C2=OAglycone:
COc1cc(O)c2c(c1)OC(c1ccc(O)c(OC)c1)C(O)C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.43 |
| AlogP: | -0.73 | Num_rotatable_bonds: | 6 |
| MolWt: | 494.45 | Num_heavy_atoms: | 35 |
| TPSA: | 184.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD55533
Formula: C17H16O7
Smiles:
COc1cc(O)c2c(c1)OC(c1ccc(O)c(OC)c1)C(O)C2=O| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.24 |
| AlogP: | 1.79 | Num_rotatable_bonds: | 3 |
| MolWt: | 332.31 | Num_heavy_atoms: | 24 |
| TPSA: | 105.45 | NumAromaticRings: | 2 |
