Glycoside
GD007303
Name:
NoneFormula:
C26H49O9NSSmiles:
CCCCCCCCC=CCCCCCCCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OS(=O)(=O)O)[C@H]1NC(C)=OAglycone:
CCCCCCCCC=CCCCCCCCCO.O=S(=O)(O)OSugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.88 |
| AlogP: | 3.81 | Num_rotatable_bonds: | 21 |
| MolWt: | 551.74 | Num_heavy_atoms: | 37 |
| TPSA: | 151.62 | NumAromaticRings: | 0 |
Unique Aglycone
AD00034
Formula: H2O4S
Smiles:
O=S(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 98.08 | Num_heavy_atoms: | 5 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
AD05761
Formula: C18H36O
Smiles:
CCCCCCCCC=CCCCCCCCCO| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.89 |
| AlogP: | 6.02 | Num_rotatable_bonds: | 15 |
| MolWt: | 268.48 | Num_heavy_atoms: | 19 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
