Glycoside
GD139547
Name:
8-(3-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,4-trihydroxyoxan-2-yl]oxy}-2-hydroxy-3-methylbutyl)-5,7-dimethoxy-2H-chromen-2-oneFormula:
C27H38O15Smiles:
COc1cc(OC)c2ccc(=O)oc2c1CC(O)C(C)(C)OC1OC(COC2OCC(O)(CO)C2O)CC(O)(O)C1OAglycone:
COc1cc(OC)c2ccc(=O)oc2c1CC(O)C(C)(C)OSugarmoiety:
OCC1(O)COC(OCC2CC(O)(O)C(O)C(O)O2)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.67 |
| AlogP: | -1.88 | Num_rotatable_bonds: | 11 |
| MolWt: | 602.59 | Num_heavy_atoms: | 42 |
| TPSA: | 227.2 | NumAromaticRings: | 2 |
Unique Aglycone
AD47372
Formula: C16H20O6
Smiles:
COc1cc(OC)c2ccc(=O)oc2c1CC(O)C(C)(C)O| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.44 |
| AlogP: | 1.48 | Num_rotatable_bonds: | 5 |
| MolWt: | 308.33 | Num_heavy_atoms: | 22 |
| TPSA: | 89.13 | NumAromaticRings: | 2 |
