Glycoside
GD002282
Name:
NoneFormula:
C22H28O4N2SSmiles:
Cc1cccc(C2CCCN2C(=O)[C@H](O)[C@H](O)C(=O)N(C)CCc2cccs2)c1Aglycone:
CNCCc1cccs1.Cc1cccc(C2CCCN2)c1Sugarmoiety:
O=C(O)C(O)C(O)C(=O)OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.45 |
| AlogP: | 2.14 | Num_rotatable_bonds: | 7 |
| MolWt: | 416.54 | Num_heavy_atoms: | 29 |
| TPSA: | 81.08 | NumAromaticRings: | 2 |
Unique Aglycone
AD02193
Formula: C7H11NS
Smiles:
CNCCc1cccs1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.43 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 3 |
| MolWt: | 141.24 | Num_heavy_atoms: | 9 |
| TPSA: | 12.03 | NumAromaticRings: | 1 |
AD02194
Formula: C11H15N
Smiles:
Cc1cccc(C2CCCN2)c1| HBA: | 1 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.45 |
| AlogP: | 2.42 | Num_rotatable_bonds: | 1 |
| MolWt: | 161.25 | Num_heavy_atoms: | 12 |
| TPSA: | 12.03 | NumAromaticRings: | 1 |
