Glycoside
GD146032
Name:
Auriculatin 4'-O-GlucosideFormula:
C31H34O11Smiles:
CC(C)=CCc1c2c(c(O)c3c(=O)c(-c4ccc(OC5OC(CO)C(O)C(O)C5O)cc4O)coc13)C=CC(C)(C)O2Aglycone:
CC(C)=CCc1c2c(c(O)c3c(=O)c(-c4ccc(O)cc4O)coc13)C=CC(C)(C)O2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.39 |
| AlogP: | 2.74 | Num_rotatable_bonds: | 6 |
| MolWt: | 582.6 | Num_heavy_atoms: | 42 |
| TPSA: | 179.28 | NumAromaticRings: | 3 |
Unique Aglycone
AD58583
Formula: C25H24O6
Smiles:
CC(C)=CCc1c2c(c(O)c3c(=O)c(-c4ccc(O)cc4O)coc13)C=CC(C)(C)O2| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.24 |
| AlogP: | 5.27 | Num_rotatable_bonds: | 3 |
| MolWt: | 420.46 | Num_heavy_atoms: | 31 |
| TPSA: | 100.13 | NumAromaticRings: | 3 |
