Glycoside
GD006473
Name:
NoneFormula:
C17H23O5NSSmiles:
CC(=O)NCC1OC(SCC=Cc2ccccc2)C(O)C(O)C1OAglycone:
CNC(C)=O.SCC=Cc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.47 |
| AlogP: | 0.38 | Num_rotatable_bonds: | 6 |
| MolWt: | 353.44 | Num_heavy_atoms: | 24 |
| TPSA: | 99.02 | NumAromaticRings: | 1 |
Unique Aglycone
AD01019
Formula: C3H7ON
Smiles:
CNC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 0 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
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 |
