Glycoside
GD142667
Name:
Linoside AFormula:
C32H38O16Smiles:
COc1ccc(-c2cc(=O)c3c(O)c(C4OC(COC(C)=O)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)c(OC)cc3o2)cc1OCAglycone:
COC(C)=O.COc1cc(O)c2c(=O)cc(-c3ccc(OC)c(OC)c3)oc2c1Sugarmoiety:
CC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | 0.13 | Num_rotatable_bonds: | 9 |
| MolWt: | 678.64 | Num_heavy_atoms: | 48 |
| TPSA: | 233.27 | NumAromaticRings: | 3 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD04796
Formula: C18H16O6
Smiles:
COc1cc(O)c2c(=O)cc(-c3ccc(OC)c(OC)c3)oc2c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 3.19 | Num_rotatable_bonds: | 4 |
| MolWt: | 328.32 | Num_heavy_atoms: | 24 |
| TPSA: | 78.13 | NumAromaticRings: | 3 |
