Glycoside
GD150154
Name:
[3,4,5-tris(acetyloxy)-6-{[7-(acetyloxy)-2-[3,4-bis(acetyloxy)phenyl]-4-oxo-5-(prop-1-en-2-yloxy)-4H-chromen-3-yl]oxy}oxan-2-yl]methyl acetateFormula:
C38H38O19Smiles:
C=C(C)Oc1cc(OC(C)=O)cc2oc(-c3ccc(OC(C)=O)c(OC(C)=O)c3)c(OC3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)c(=O)c12Aglycone:
C=C(C)Oc1cc(OC(C)=O)cc2oc(-c3ccc(OC(C)=O)c(OC(C)=O)c3)c(O)c(=O)c12.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.37 |
| AlogP: | 3.61 | Num_rotatable_bonds: | 13 |
| MolWt: | 798.7 | Num_heavy_atoms: | 57 |
| TPSA: | 242.0 | NumAromaticRings: | 3 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD59997
Formula: C24H20O10
Smiles:
C=C(C)Oc1cc(OC(C)=O)cc2oc(-c3ccc(OC(C)=O)c(OC(C)=O)c3)c(O)c(=O)c12| HBA: | 10 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 3.85 | Num_rotatable_bonds: | 6 |
| MolWt: | 468.41 | Num_heavy_atoms: | 34 |
| TPSA: | 138.57 | NumAromaticRings: | 3 |
