Glycoside
GD147913
Name:
Pancherin BFormula:
C25H40O6Smiles:
CC(C)=CCCC(C)=CCCC(C)=CCOC1OCC(O)C(OC(=O)C=C(C)C)C1OAglycone:
CC(C)=CC(=O)O.CC(C)=CCCC(C)=CCCC(C)=CCOSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.64 |
| AlogP: | 4.38 | Num_rotatable_bonds: | 11 |
| MolWt: | 436.59 | Num_heavy_atoms: | 31 |
| TPSA: | 85.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD00258
Formula: C5H8O2
Smiles:
CC(C)=CC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 1 |
| MolWt: | 100.12 | Num_heavy_atoms: | 7 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD45904
Formula: C15H26O
Smiles:
CC(C)=CCCC(C)=CCCC(C)=CCO| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.6 |
| AlogP: | 4.4 | Num_rotatable_bonds: | 7 |
| MolWt: | 222.37 | Num_heavy_atoms: | 16 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
