Glycoside
GD009859
Name:
NoneFormula:
C16H20O5N2SSmiles:
CN(Cc1ccco1)C(=O)[C@H](O)[C@H](O)C(=O)NCCc1cccs1Aglycone:
CNCc1ccco1.NCCc1cccs1Sugarmoiety:
O=C(O)C(O)C(O)C(=O)OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.38 |
| AlogP: | 0.38 | Num_rotatable_bonds: | 8 |
| MolWt: | 352.41 | Num_heavy_atoms: | 24 |
| TPSA: | 103.01 | NumAromaticRings: | 2 |
Unique Aglycone
AD01498
Formula: C6H9ON
Smiles:
CNCc1ccco1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 1.0 | Num_rotatable_bonds: | 2 |
| MolWt: | 111.14 | Num_heavy_atoms: | 8 |
| TPSA: | 25.17 | NumAromaticRings: | 1 |
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 |
