Glycoside
GD132508
Name:
NoneFormula:
C22H36O7Smiles:
COC1OC(OC)C(O)(CCC2(C)C(C)CCC3(C)C(C(=O)O)=CCCC32)C1OAglycone:
CCC1(C)C(C)CCC2(C)C(C(=O)O)=CCCC21Sugarmoiety:
COC1OC(OC)C(O)(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | 2.7 | Num_rotatable_bonds: | 6 |
| MolWt: | 412.52 | Num_heavy_atoms: | 29 |
| TPSA: | 105.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD52194
Formula: C16H26O2
Smiles:
CCC1(C)C(C)CCC2(C)C(C(=O)O)=CCCC21| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.81 |
| AlogP: | 4.26 | Num_rotatable_bonds: | 2 |
| MolWt: | 250.38 | Num_heavy_atoms: | 18 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
