Glycoside
GD130946
Name:
Cucurbitoside FFormula:
C24H36O12Smiles:
CCC(C)C(=O)OCC1(O)COC(OC2C(Oc3ccc(CCO)cc3)OC(CO)C(O)C2O)C1OAglycone:
CCC(C)C(=O)OC.OCCc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(OC2OCC(O)(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.71 |
| AlogP: | -1.54 | Num_rotatable_bonds: | 11 |
| MolWt: | 516.54 | Num_heavy_atoms: | 36 |
| TPSA: | 184.6 | NumAromaticRings: | 1 |
Unique Aglycone
AD03863
Formula: C8H10O2
Smiles:
OCCc1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 2 |
| MolWt: | 138.17 | Num_heavy_atoms: | 10 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
AD17547
Formula: C6H12O2
Smiles:
CCC(C)C(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.83 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 2 |
| MolWt: | 116.16 | Num_heavy_atoms: | 8 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
