Glycoside
GD105260
Name:
NoneFormula:
C22H36O9SSmiles:
CCCCCCCCS[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
CCCCCCCCS.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.82 |
| AlogP: | 3.16 | Num_rotatable_bonds: | 13 |
| MolWt: | 476.59 | Num_heavy_atoms: | 32 |
| TPSA: | 114.43 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD24559
Formula: C8H18S
Smiles:
CCCCCCCCS| HBA: | 0 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | 3.28 | Num_rotatable_bonds: | 6 |
| MolWt: | 146.3 | Num_heavy_atoms: | 9 |
| TPSA: | 0.0 | NumAromaticRings: | 0 |
