Glycoside
GD026604
Name:
NoneFormula:
C17H29O5N2ClSSmiles:
CCC[C@@H]1CN[C@H]1C(=O)N[C@H]([C@H](C)Cl)[C@@H]1O[C@H](SC)[C@H](O)[C@H](O)[C@H]1OAglycone:
CCCC1CNC1C(=O)NCC(C)ClSugarmoiety:
CSC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.94 |
| AlogP: | -0.34 | Num_rotatable_bonds: | 7 |
| MolWt: | 396.94 | Num_heavy_atoms: | 25 |
| TPSA: | 111.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD17525
Formula: C11H19ON2Cl
Smiles:
CCCC1CNC1C(=O)NCC(C)Cl| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 5 |
| MolWt: | 218.73 | Num_heavy_atoms: | 14 |
| TPSA: | 41.13 | NumAromaticRings: | 0 |
