Glycoside
GD022666
Name:
NoneFormula:
C23H39O6N3SSmiles:
CCSCCCCCCCCCCCC(=O)O[C@@H]1[C@H](O)[C@H](CO)O[C@H]1n1ccc(N)nc1=OAglycone:
CCSCCCCCCCCCCCC(=O)O.Nc1cc[nH]c(=O)n1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.78 |
| AlogP: | 2.64 | Num_rotatable_bonds: | 16 |
| MolWt: | 485.65 | Num_heavy_atoms: | 33 |
| TPSA: | 136.9 | NumAromaticRings: | 1 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
AD15342
Formula: C14H28O2S
Smiles:
CCSCCCCCCCCCCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.93 |
| AlogP: | 4.73 | Num_rotatable_bonds: | 13 |
| MolWt: | 260.44 | Num_heavy_atoms: | 17 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
