Glycoside
GD126981
Name:
5-hydroxy-2-(4-hydroxyphenyl)-6-(3,4,5,6-tetrahydroxyoxan-2-yl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-oneFormula:
C26H28O15Smiles:
O=c1cc(-c2ccc(O)cc2)oc2cc(OC3OC(CO)C(O)C(O)C3O)c(C3OC(O)C(O)C(O)C3O)c(O)c12Aglycone:
O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12Sugarmoiety:
OC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.42 |
| AlogP: | -2.48 | Num_rotatable_bonds: | 5 |
| MolWt: | 580.5 | Num_heavy_atoms: | 41 |
| TPSA: | 260.2 | 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 |
