Glycoside
GD150645
Name:
(3,4,5-trihydroxy-6-{[1-hydroxy-3-(3-methoxy-4-methylphenyl)propan-2-yl]oxy}oxan-2-yl)methyl 3,4,5-trihydroxybenzoateFormula:
C24H30O12Smiles:
COc1cc(CC(CO)OC2OC(COC(=O)c3cc(O)c(O)c(O)c3)C(O)C(O)C2O)ccc1CAglycone:
COC(=O)c1cc(O)c(O)c(O)c1.COc1cc(CC(O)CO)ccc1CSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.46 |
| AlogP: | -0.29 | Num_rotatable_bonds: | 9 |
| MolWt: | 510.49 | Num_heavy_atoms: | 36 |
| TPSA: | 195.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD00121
Formula: C8H8O5
Smiles:
COC(=O)c1cc(O)c(O)c(O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 184.15 | Num_heavy_atoms: | 13 |
| TPSA: | 86.99 | NumAromaticRings: | 1 |
AD60152
Formula: C11H16O3
Smiles:
COc1cc(CC(O)CO)ccc1C| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.45 |
| AlogP: | 0.9 | Num_rotatable_bonds: | 4 |
| MolWt: | 196.25 | Num_heavy_atoms: | 14 |
| TPSA: | 49.69 | NumAromaticRings: | 1 |
