Glycoside
GD116317
Name:
6-methoxy-3-methyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-1H-2-benzopyran-1-oneFormula:
C17H22O9Smiles:
COc1cc2c(c(OC3OC(CO)C(O)C(O)C3O)c1)C(=O)OC(C)C2Aglycone:
COc1cc(O)c2c(c1)CC(C)OC2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.59 |
| AlogP: | -1.02 | Num_rotatable_bonds: | 4 |
| MolWt: | 370.35 | Num_heavy_atoms: | 26 |
| TPSA: | 134.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD46164
Formula: C11H12O4
Smiles:
COc1cc(O)c2c(c1)CC(C)OC2=O| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.36 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 208.21 | Num_heavy_atoms: | 15 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
