Glycoside
GD141449
Name:
14,15-IrpexanoxideFormula:
C36H62O8Smiles:
CC(C)=CCCC(C)=CCCC(C)(O)C(CCC1OC1(C)CCC=C(C)CCC=C(C)C)OC1OC(CO)C(O)C(O)C1OAglycone:
CC(C)=CCCC(C)=CCCC(C)(O)C(O)CCC1OC1(C)CCC=C(C)CCC=C(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.78 |
| AlogP: | 5.81 | Num_rotatable_bonds: | 19 |
| MolWt: | 622.88 | Num_heavy_atoms: | 44 |
| TPSA: | 132.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD56983
Formula: C30H52O3
Smiles:
CC(C)=CCCC(C)=CCCC(C)(O)C(O)CCC1OC1(C)CCC=C(C)CCC=C(C)C| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.73 |
| AlogP: | 7.98 | Num_rotatable_bonds: | 16 |
| MolWt: | 460.74 | Num_heavy_atoms: | 33 |
| TPSA: | 52.99 | NumAromaticRings: | 0 |
