Glycoside
GD119109
Name:
3-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C22H24O11Smiles:
COc1cc(OC2OC(CO)C(O)C(O)C2O)c2c(c1)OC(c1ccc(O)cc1)C(O)C2=OAglycone:
COc1cc(O)c2c(c1)OC(c1ccc(O)cc1)C(O)C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.41 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 5 |
| MolWt: | 464.42 | Num_heavy_atoms: | 33 |
| TPSA: | 175.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD47679
Formula: C16H14O6
Smiles:
COc1cc(O)c2c(c1)OC(c1ccc(O)cc1)C(O)C2=O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.19 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 2 |
| MolWt: | 302.28 | Num_heavy_atoms: | 22 |
| TPSA: | 96.22 | NumAromaticRings: | 2 |
