Glycoside
GD129866
Name:
ConyaegyptinFormula:
C35H54O7Smiles:
CC(=CCCc1ccc(C(C)C)cc1)C(=O)OC1COC(OCC(C)CCCC2=CCC(C(C)(C)O)CC2)C(O)C1OAglycone:
CC(=CCCc1ccc(C(C)C)cc1)C(=O)O.CC(CO)CCCC1=CCC(C(C)(C)O)CC1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.69 |
| AlogP: | 6.0 | Num_rotatable_bonds: | 14 |
| MolWt: | 586.81 | Num_heavy_atoms: | 42 |
| TPSA: | 105.45 | NumAromaticRings: | 1 |
Unique Aglycone
AD52611
Formula: C15H20O2
Smiles:
CC(=CCCc1ccc(C(C)C)cc1)C(=O)O| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 3.77 | Num_rotatable_bonds: | 5 |
| MolWt: | 232.32 | Num_heavy_atoms: | 17 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD52612
Formula: C15H28O2
Smiles:
CC(CO)CCCC1=CCC(C(C)(C)O)CC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.87 |
| AlogP: | 3.28 | Num_rotatable_bonds: | 6 |
| MolWt: | 240.39 | Num_heavy_atoms: | 17 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
