Glycoside
GD115443
Name:
Isoswertisin-4'-Methyl-Ether-2''α-L-RhamnosideFormula:
C29H34O14Smiles:
COc1ccc(-c2cc(=O)c3c(O)cc(OC)c(C4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)c3o2)cc1Aglycone:
COc1ccc(-c2cc(=O)c3c(O)cc(OC)cc3o2)cc1Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.48 |
| AlogP: | -0.45 | Num_rotatable_bonds: | 7 |
| MolWt: | 606.58 | Num_heavy_atoms: | 43 |
| TPSA: | 217.97 | NumAromaticRings: | 3 |
Unique Aglycone
AD12255
Formula: C17H14O5
Smiles:
COc1ccc(-c2cc(=O)c3c(O)cc(OC)cc3o2)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 3.18 | Num_rotatable_bonds: | 3 |
| MolWt: | 298.29 | Num_heavy_atoms: | 22 |
| TPSA: | 68.9 | NumAromaticRings: | 3 |
