Glycoside
GD013874
Name:
NoneFormula:
C31H46O5Smiles:
CCCCCCCO[C@@H]1[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)O[C@H](CC(C)C)[C@H]1OCAglycone:
CCCCCCCO.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
COC1C(CC(C)C)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 5 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.61 |
| AlogP: | 6.93 | Num_rotatable_bonds: | 16 |
| MolWt: | 498.7 | Num_heavy_atoms: | 36 |
| TPSA: | 46.15 | NumAromaticRings: | 2 |
Unique Aglycone
AD00044
Formula: C7H8O
Smiles:
OCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD00336
Formula: C7H16O
Smiles:
CCCCCCCO| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 1.95 | Num_rotatable_bonds: | 5 |
| MolWt: | 116.2 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
