Glycoside
GD133189
Name:
2-[4-(acetyloxy)phenyl]-5-hydroxy-4-oxo-8-[3,4,5-tris(acetyloxy)-6-methyloxan-2-yl]-4H-chromen-7-yl acetateFormula:
C31H30O14Smiles:
CC(=O)Oc1ccc(-c2cc(=O)c3c(O)cc(OC(C)=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(OC(C)=O)cc3o2)cc1Sugarmoiety:
CC(=O)OC1C(C)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.35 |
| AlogP: | 3.27 | Num_rotatable_bonds: | 7 |
| MolWt: | 626.57 | Num_heavy_atoms: | 45 |
| TPSA: | 191.17 | NumAromaticRings: | 3 |
Unique Aglycone
AD53920
Formula: C19H14O7
Smiles:
CC(=O)Oc1ccc(-c2cc(=O)c3c(O)cc(OC(C)=O)cc3o2)cc1| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.11 |
| AlogP: | 3.02 | Num_rotatable_bonds: | 3 |
| MolWt: | 354.31 | Num_heavy_atoms: | 26 |
| TPSA: | 103.04 | NumAromaticRings: | 3 |
