Glycoside
GD004522
Name:
NoneFormula:
C22H39O6N2ClSSmiles:
CCCC[C@@H]1CCN(CCO)[C@H](C(=O)NC(C(C)Cl)C2OC(SC)C(O)C(O)C2O)C1Aglycone:
CCCCC1CCN(CCO)C(C(=O)NCC(C)Cl)C1Sugarmoiety:
CSC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.95 |
| AlogP: | 0.53 | Num_rotatable_bonds: | 10 |
| MolWt: | 483.07 | Num_heavy_atoms: | 31 |
| TPSA: | 122.49 | NumAromaticRings: | 0 |
Unique Aglycone
AD03938
Formula: C16H29O2N2Cl
Smiles:
CCCCC1CCN(CCO)C(C(=O)NCC(C)Cl)C1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 8 |
| MolWt: | 304.86 | Num_heavy_atoms: | 20 |
| TPSA: | 52.57 | NumAromaticRings: | 0 |
