Glycoside
GD013921
Name:
NoneFormula:
C25H47O12N2SSmiles:
CCCCCCCCCCCCCC(=O)NC(CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(=O)NCCOS(=O)(=O)[O-]Aglycone:
CCCCCCCCCCCCCC(=O)NC(CO)C(=O)NCCOS(=O)(=O)[O-]Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.92 |
| AlogP: | -0.42 | Num_rotatable_bonds: | 22 |
| MolWt: | 599.72 | Num_heavy_atoms: | 40 |
| TPSA: | 224.01 | NumAromaticRings: | 0 |
Unique Aglycone
AD10317
Formula: C19H37O7N2S
Smiles:
CCCCCCCCCCCCCC(=O)NC(CO)C(=O)NCCOS(=O)(=O)[O-]| HBA: | 9 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.89 |
| AlogP: | 1.76 | Num_rotatable_bonds: | 19 |
| MolWt: | 437.58 | Num_heavy_atoms: | 29 |
| TPSA: | 144.86 | NumAromaticRings: | 0 |
