Glycoside
GD115855
Name:
5-hydroxy-2-(4-hydroxyphenyl)-7-({3,4,5-trihydroxy-6-[(3,4,5,6-tetrahydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-4H-chromen-4-oneFormula:
C25H26O15Smiles:
O=c1cc(-c2ccc(O)cc2)oc2cc(OC3OC(OC4OC(O)C(O)C(O)C4O)C(O)C(O)C3O)cc(O)c12Aglycone:
O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12Sugarmoiety:
OC1OC(OC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.4 |
| AlogP: | -2.21 | Num_rotatable_bonds: | 5 |
| MolWt: | 566.47 | Num_heavy_atoms: | 40 |
| TPSA: | 249.2 | NumAromaticRings: | 3 |
Unique Aglycone
AD00529
Formula: C15H10O5
Smiles:
O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 1 |
| MolWt: | 270.24 | Num_heavy_atoms: | 20 |
| TPSA: | 90.9 | NumAromaticRings: | 3 |
