Glycoside
GD109275
Name:
3-(1-hydroxy-3-methylbutyl)-6-(2-hydroxy-4-methyl-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}phenoxy)-2-methoxybenzoic acidFormula:
C26H34O11Smiles:
COc1c([C@H](O)CC(C)C)ccc(Oc2c(O)cc(C)cc2CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c1C(=O)OAglycone:
COc1c(C(O)CC(C)C)ccc(Oc2c(O)cc(C)cc2CO)c1C(=O)OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | 2.23 | Num_rotatable_bonds: | 10 |
| MolWt: | 522.55 | Num_heavy_atoms: | 37 |
| TPSA: | 175.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD44535
Formula: C21H26O7
Smiles:
COc1c(C(O)CC(C)C)ccc(Oc2c(O)cc(C)cc2CO)c1C(=O)O| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | 3.77 | Num_rotatable_bonds: | 8 |
| MolWt: | 390.43 | Num_heavy_atoms: | 28 |
| TPSA: | 116.45 | NumAromaticRings: | 2 |
