Glycoside
GD115011
Name:
5-hydroxy-7-[2-(4-hydroxyphenyl)ethoxy]-2-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4H-chromen-4-oneFormula:
C29H28O11Smiles:
O=c1cc(-c2ccc(OC3OC(CO)C(O)C(O)C3O)cc2)oc2cc(OCCc3ccc(O)cc3)cc(O)c12Aglycone:
O=c1cc(-c2ccc(O)cc2)oc2cc(OCCc3ccc(O)cc3)cc(O)c12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.28 |
| AlogP: | 1.67 | Num_rotatable_bonds: | 8 |
| MolWt: | 552.53 | Num_heavy_atoms: | 40 |
| TPSA: | 179.28 | NumAromaticRings: | 4 |
Unique Aglycone
AD45415
Formula: C23H18O6
Smiles:
O=c1cc(-c2ccc(O)cc2)oc2cc(OCCc3ccc(O)cc3)cc(O)c12| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.09 |
| AlogP: | 4.2 | Num_rotatable_bonds: | 5 |
| MolWt: | 390.39 | Num_heavy_atoms: | 29 |
| TPSA: | 100.13 | NumAromaticRings: | 4 |
