Glycoside
GD008287
Name:
NoneFormula:
C33H60O6N2Smiles:
CCCCCCCCCCCCCCCCOC[C@H](CO[C@@H]1O[C@H](CN)[C@H](OCc2ccccc2)[C@H](O)[C@H]1N)OCAglycone:
CCCCCCCCCCCCCCCCOCC(CO)OC.OCc1ccccc1Sugarmoiety:
NCC1OC(O)C(N)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.82 |
| AlogP: | 5.47 | Num_rotatable_bonds: | 25 |
| MolWt: | 580.85 | Num_heavy_atoms: | 41 |
| TPSA: | 118.42 | NumAromaticRings: | 1 |
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 |
AD00892
Formula: C20H42O3
Smiles:
CCCCCCCCCCCCCCCCOCC(CO)OC| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 5.49 | Num_rotatable_bonds: | 19 |
| MolWt: | 330.55 | Num_heavy_atoms: | 23 |
| TPSA: | 38.69 | NumAromaticRings: | 0 |
