Glycoside
GD010386
Name:
NoneFormula:
C19H27O5NSSmiles:
CCCC(=O)NCC1OC(SCC=Cc2ccccc2)C(O)C(O)C1OAglycone:
CCCC(=O)NC.SCC=Cc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | 1.16 | Num_rotatable_bonds: | 8 |
| MolWt: | 381.49 | Num_heavy_atoms: | 26 |
| TPSA: | 99.02 | NumAromaticRings: | 1 |
Unique Aglycone
AD01354
Formula: C9H10S
Smiles:
SCC=Cc1ccccc1| HBA: | 0 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.11 |
| AlogP: | 2.63 | Num_rotatable_bonds: | 2 |
| MolWt: | 150.25 | Num_heavy_atoms: | 10 |
| TPSA: | 0.0 | NumAromaticRings: | 1 |
AD08029
Formula: C5H11ON
Smiles:
CCCC(=O)NC| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 0.53 | Num_rotatable_bonds: | 2 |
| MolWt: | 101.15 | Num_heavy_atoms: | 7 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
