Glycoside
GD120017
Name:
Abutiloside OFormula:
C46H72O19Smiles:
COC1(C(=O)OC2CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C2C(C)=O)CC(C)CO1Aglycone:
COC1(C(=O)OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C2C(C)=O)CC(C)CO1Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.91 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 11 |
| MolWt: | 929.06 | Num_heavy_atoms: | 65 |
| TPSA: | 279.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD48168
Formula: C28H42O6
Smiles:
COC1(C(=O)OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C2C(C)=O)CC(C)CO1| HBA: | 6 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.86 |
| AlogP: | 4.44 | Num_rotatable_bonds: | 4 |
| MolWt: | 474.64 | Num_heavy_atoms: | 34 |
| TPSA: | 82.06 | NumAromaticRings: | 0 |
