Glycoside
GD130704
Name:
3,5,7-trihydroxy-2-[4-(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy)phenyl]-4H-chromen-4-oneFormula:
C28H26O13Smiles:
COc1cc(Oc2ccc(-c3oc4cc(O)cc(O)c4c(=O)c3O)cc2)ccc1OC1OC(CO)C(O)C(O)C1OAglycone:
COc1cc(Oc2ccc(-c3oc4cc(O)cc(O)c4c(=O)c3O)cc2)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.25 |
| AlogP: | 1.56 | Num_rotatable_bonds: | 7 |
| MolWt: | 570.5 | Num_heavy_atoms: | 41 |
| TPSA: | 208.74 | NumAromaticRings: | 4 |
Unique Aglycone
AD52964
Formula: C22H16O8
Smiles:
COc1cc(Oc2ccc(-c3oc4cc(O)cc(O)c4c(=O)c3O)cc2)ccc1O| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.05 |
| AlogP: | 4.08 | Num_rotatable_bonds: | 4 |
| MolWt: | 408.36 | Num_heavy_atoms: | 30 |
| TPSA: | 129.59 | NumAromaticRings: | 4 |
