Glycoside
GD013820
Name:
NoneFormula:
C42H50O5N2Smiles:
NCCCCCOC[C@@H]1O[C@H](CCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1Aglycone:
CCc1c[nH]c2ccccc12.COCCCCCN.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.38 |
| AlogP: | 7.77 | Num_rotatable_bonds: | 19 |
| MolWt: | 662.87 | Num_heavy_atoms: | 49 |
| TPSA: | 87.96 | NumAromaticRings: | 5 |
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 |
AD00861
Formula: C6H15ON
Smiles:
COCCCCCN| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.76 | Num_rotatable_bonds: | 5 |
| MolWt: | 117.19 | Num_heavy_atoms: | 8 |
| TPSA: | 35.25 | NumAromaticRings: | 0 |
AD10252
Formula: C10H11N
Smiles:
CCc1c[nH]c2ccccc12| HBA: | 1 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | 2.73 | Num_rotatable_bonds: | 1 |
| MolWt: | 145.2 | Num_heavy_atoms: | 11 |
| TPSA: | 15.79 | NumAromaticRings: | 2 |
