Glycoside
GD022176
Name:
NoneFormula:
C18H22O4N2SSmiles:
CN(Cc1ccccc1)C(=O)[C@H](O)[C@H](O)C(=O)NCCc1cccs1Aglycone:
CNCc1ccccc1.NCCc1cccs1Sugarmoiety:
O=C(O)C(O)C(O)C(=O)OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 0.79 | Num_rotatable_bonds: | 8 |
| MolWt: | 362.45 | 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 |
AD10586
Formula: C8H11N
Smiles:
CNCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.41 | Num_rotatable_bonds: | 2 |
| MolWt: | 121.18 | Num_heavy_atoms: | 9 |
| TPSA: | 12.03 | NumAromaticRings: | 1 |
