Glycoside
GD147266
Name:
Ligurobustoside FFormula:
C31H44O13Smiles:
C=C(C)C(O)CCC(C)=CCOC1OC(COC(=O)C=Cc2ccc(O)cc2)C(O)C(OC2OC(C)C(O)C(O)C2O)C1OAglycone:
C=C(C)C(O)CCC(C)=CCO.COC(=O)C=Cc1ccc(O)cc1Sugarmoiety:
CC1OC(OC2C(O)C(O)OC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.58 |
| AlogP: | 0.29 | Num_rotatable_bonds: | 13 |
| MolWt: | 624.68 | Num_heavy_atoms: | 44 |
| TPSA: | 204.83 | NumAromaticRings: | 1 |
Unique Aglycone
AD00020
Formula: C10H10O3
Smiles:
COC(=O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD58984
Formula: C10H18O2
Smiles:
C=C(C)C(O)CCC(C)=CCO| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 5 |
| MolWt: | 170.25 | Num_heavy_atoms: | 12 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
