Glycoside
GD138111
Name:
4-{5,7-dihydroxy-4-oxo-8-[3,4,5-tris(acetyloxy)-6-methyloxan-2-yl]-4H-chromen-2-yl}phenyl acetateFormula:
C29H28O13Smiles:
CC(=O)Oc1ccc(-c2cc(=O)c3c(O)cc(O)c(C4OC(C)C(OC(C)=O)C(OC(C)=O)C4OC(C)=O)c3o2)cc1Aglycone:
CC(=O)Oc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1Sugarmoiety:
CC(=O)OC1C(C)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.34 |
| AlogP: | 3.05 | Num_rotatable_bonds: | 6 |
| MolWt: | 584.53 | Num_heavy_atoms: | 42 |
| TPSA: | 185.1 | NumAromaticRings: | 3 |
Unique Aglycone
AD55767
Formula: C17H12O6
Smiles:
CC(=O)Oc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.06 |
| AlogP: | 2.8 | Num_rotatable_bonds: | 2 |
| MolWt: | 312.28 | Num_heavy_atoms: | 23 |
| TPSA: | 96.97 | NumAromaticRings: | 3 |
