Glycoside
GD024210
Name:
NoneFormula:
C22H26O4N3ClSSmiles:
CN(CCc1cccs1)C(=O)[C@H](O)[C@H](O)C(=O)N1CCN(c2ccccc2Cl)CC1Aglycone:
CNCCc1cccs1.Clc1ccccc1N1CCNCC1Sugarmoiety:
O=C(O)C(O)C(O)C(=O)OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.43 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 7 |
| MolWt: | 451.98 | Num_heavy_atoms: | 30 |
| TPSA: | 84.32 | 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 |
AD04591
Formula: C11H13N2Cl
Smiles:
Clc1ccccc1N1CCNCC1| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 1.75 | Num_rotatable_bonds: | 1 |
| MolWt: | 196.68 | Num_heavy_atoms: | 13 |
| TPSA: | 15.27 | NumAromaticRings: | 1 |
