Glycoside
GD147326
Name:
Ligurobustoside BFormula:
C31H44O13Smiles:
CC(C)=CCCC(C)=CCOC1OC(CO)C(OC(=O)C=Cc2ccc(O)c(O)c2)C(OC2OC(C)C(O)C(O)C2O)C1OAglycone:
CC(C)=CCCC(C)=CCO.O=C(O)C=Cc1ccc(O)c(O)c1Sugarmoiety:
CC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.58 |
| AlogP: | 1.02 | Num_rotatable_bonds: | 12 |
| MolWt: | 624.68 | Num_heavy_atoms: | 44 |
| TPSA: | 204.83 | NumAromaticRings: | 1 |
Unique Aglycone
AD00127
Formula: C9H8O4
Smiles:
O=C(O)C=Cc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 2 |
| MolWt: | 180.16 | Num_heavy_atoms: | 13 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
AD04659
Formula: C10H18O
Smiles:
CC(C)=CCCC(C)=CCO| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.6 |
| AlogP: | 2.67 | Num_rotatable_bonds: | 4 |
| MolWt: | 154.25 | Num_heavy_atoms: | 11 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
