Glycoside
GD006179
Name:
NoneFormula:
C30H54O9Smiles:
CCCCCC[C@H](C)O[C@@H]1O[C@H](C)[C@H](O)C[C@H]1O[C@@H]1O[C@H](C)[C@H](OC(=O)CCCC)C[C@H]1OC(=O)CCCCAglycone:
CCCCC(=O)O.CCCCC(=O)O.CCCCCCC(C)OSugarmoiety:
CC1OC(O)C(OC2OC(C)C(O)CC2O)CC1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.93 |
| AlogP: | 5.58 | Num_rotatable_bonds: | 17 |
| MolWt: | 558.75 | Num_heavy_atoms: | 39 |
| TPSA: | 109.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD01564
Formula: C5H10O2
Smiles:
CCCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 1.26 | Num_rotatable_bonds: | 3 |
| MolWt: | 102.13 | Num_heavy_atoms: | 7 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD05135
Formula: C8H18O
Smiles:
CCCCCCC(C)O| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 2.34 | Num_rotatable_bonds: | 5 |
| MolWt: | 130.23 | Num_heavy_atoms: | 9 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
