Glycoside
GD139612
Name:
Artemetin 5-Glucosyl-(1->4)-RhamnosideFormula:
C32H40O17Smiles:
COc1ccc(-c2oc3cc(OC)c(OC)c(OC4OC(C)C(OC5OC(CO)C(O)C(O)C5O)C(O)C4O)c3c(=O)c2OC)cc1OCAglycone:
COc1ccc(-c2oc3cc(OC)c(OC)c(O)c3c(=O)c2OC)cc1OCSugarmoiety:
CC1OC(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.53 |
| AlogP: | -0.47 | Num_rotatable_bonds: | 11 |
| MolWt: | 696.66 | Num_heavy_atoms: | 49 |
| TPSA: | 234.66 | NumAromaticRings: | 3 |
Unique Aglycone
AD56297
Formula: C20H20O8
Smiles:
COc1ccc(-c2oc3cc(OC)c(OC)c(O)c3c(=O)c2OC)cc1OC| HBA: | 8 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 3.21 | Num_rotatable_bonds: | 6 |
| MolWt: | 388.37 | Num_heavy_atoms: | 28 |
| TPSA: | 96.59 | NumAromaticRings: | 3 |
