Glycoside
GD013242
Name:
NoneFormula:
C18H20O4N2SSmiles:
O=C(NCCc1cccs1)[C@H](O)[C@H](O)C(=O)N1Cc2ccccc2C1Aglycone:
NCCc1cccs1.c1ccc2c(c1)CNC2Sugarmoiety:
O=C(O)C(O)C(O)C(=O)OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 0.67 | Num_rotatable_bonds: | 6 |
| MolWt: | 360.44 | Num_heavy_atoms: | 25 |
| TPSA: | 89.87 | NumAromaticRings: | 2 |
Unique Aglycone
AD02148
Formula: C6H9NS
Smiles:
NCCc1cccs1| HBA: | 1 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 1.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 127.21 | Num_heavy_atoms: | 8 |
| TPSA: | 26.02 | NumAromaticRings: | 1 |
AD09907
Formula: C8H9N
Smiles:
c1ccc2c(c1)CNC2| HBA: | 1 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.29 | Num_rotatable_bonds: | 0 |
| MolWt: | 119.17 | Num_heavy_atoms: | 9 |
| TPSA: | 12.03 | NumAromaticRings: | 1 |
