Glycoside
GD138372
Name:
2-(4-{[3,4-dihydroxy-5-(2-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)oxolan-2-yl]oxy}-3-hydroxyphenyl)-5-hydroxy-7-methoxy-4H-chromen-4-oneFormula:
C28H32O16Smiles:
COc1cc(O)c2c(=O)cc(-c3ccc(OC4OC(C(CO)OC5OC(CO)C(O)C(O)C5O)C(O)C4O)c(O)c3)oc2c1Aglycone:
COc1cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc2c1Sugarmoiety:
OCC1OC(OC(CO)C2OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.46 |
| AlogP: | -2.12 | Num_rotatable_bonds: | 9 |
| MolWt: | 624.55 | Num_heavy_atoms: | 44 |
| TPSA: | 258.43 | NumAromaticRings: | 3 |
Unique Aglycone
AD23614
Formula: C16H12O6
Smiles:
COc1cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc2c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 2 |
| MolWt: | 300.27 | Num_heavy_atoms: | 22 |
| TPSA: | 100.13 | NumAromaticRings: | 3 |
