Glycoside
GD128500
Name:
(3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-methoxyphenyl)-6,8-dimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}oxan-2-yl)methyl acetateFormula:
C26H30O11Smiles:
COc1ccc(C2CC(=O)c3c(O)c(C)c(OC4OC(COC(C)=O)C(O)C(O)C4O)c(C)c3O2)cc1Aglycone:
COC(C)=O.COc1ccc(C2CC(=O)c3c(O)c(C)c(O)c(C)c3O2)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.46 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 6 |
| MolWt: | 518.52 | Num_heavy_atoms: | 37 |
| TPSA: | 161.21 | NumAromaticRings: | 2 |
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 |
AD19157
Formula: C18H18O5
Smiles:
COc1ccc(C2CC(=O)c3c(O)c(C)c(O)c(C)c3O2)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.28 |
| AlogP: | 3.43 | Num_rotatable_bonds: | 2 |
| MolWt: | 314.34 | Num_heavy_atoms: | 23 |
| TPSA: | 75.99 | NumAromaticRings: | 2 |
