Glycoside
GD014932
Name:
NoneFormula:
C25H48O12N2SSmiles:
CCCCCCCCCCCCCC(=O)NC(CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(=O)NCCOS(=O)(=O)OAglycone:
CCCCCCCCCCCCCC(=O)NC(CO)C(=O)NCCOS(=O)(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.92 |
| AlogP: | -0.08 | Num_rotatable_bonds: | 22 |
| MolWt: | 600.73 | Num_heavy_atoms: | 40 |
| TPSA: | 221.18 | NumAromaticRings: | 0 |
Unique Aglycone
AD10927
Formula: C19H38O7N2S
Smiles:
CCCCCCCCCCCCCC(=O)NC(CO)C(=O)NCCOS(=O)(=O)O| HBA: | 9 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.89 |
| AlogP: | 2.1 | Num_rotatable_bonds: | 19 |
| MolWt: | 438.59 | Num_heavy_atoms: | 29 |
| TPSA: | 142.03 | NumAromaticRings: | 0 |
