Glycoside
GD144774
Name:
2-(3,4-dihydroxyphenyl)-7-hydroxy-4-oxo-3-{[3,4,5-tris(acetyloxy)-6-methyloxan-2-yl]oxy}-4H-chromen-5-yl acetateFormula:
C29H28O15Smiles:
CC(=O)Oc1cc(O)cc2oc(-c3ccc(O)c(O)c3)c(OC3OC(C)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)c(=O)c12Aglycone:
CC(=O)Oc1cc(O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c12Sugarmoiety:
CC(=O)OC1C(C)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.34 |
| AlogP: | 2.42 | Num_rotatable_bonds: | 7 |
| MolWt: | 616.53 | Num_heavy_atoms: | 44 |
| TPSA: | 214.56 | NumAromaticRings: | 3 |
Unique Aglycone
AD58152
Formula: C17H12O8
Smiles:
CC(=O)Oc1cc(O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c12| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.06 |
| AlogP: | 2.21 | Num_rotatable_bonds: | 2 |
| MolWt: | 344.28 | Num_heavy_atoms: | 25 |
| TPSA: | 137.43 | NumAromaticRings: | 3 |
