Glycoside
GD123227
Name:
[5-(acetyloxy)-3,4-dihydroxy-6-[3-hydroxy-2-(5-hydroxy-7-methoxy-4-oxo-4H-chromen-2-yl)phenoxy]oxan-2-yl]methyl acetateFormula:
C26H26O13Smiles:
COc1cc(O)c2c(=O)cc(-c3c(O)cccc3OC3OC(COC(C)=O)C(O)C(O)C3OC(C)=O)oc2c1Aglycone:
COC(C)=O.COc1cc(O)c2c(=O)cc(-c3c(O)cccc3O)oc2c1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 7 |
| MolWt: | 546.48 | Num_heavy_atoms: | 39 |
| TPSA: | 191.42 | 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 |
AD49553
Formula: C16H12O6
Smiles:
COc1cc(O)c2c(=O)cc(-c3c(O)cccc3O)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 |
