Glycoside
GD107003
Name:
NoneFormula:
C19H36O8N2PClSSmiles:
CCC[C@@H]1C[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O[PH](O)(O)O)[C@H](O)[C@H]2O)N(C)C1Aglycone:
CCCC1CC(C(=O)NCC(C)Cl)N(C)C1.O[PH](O)(O)OSugarmoiety:
CSC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.94 |
| AlogP: | -0.2 | Num_rotatable_bonds: | 9 |
| MolWt: | 506.99 | Num_heavy_atoms: | 31 |
| TPSA: | 151.95 | NumAromaticRings: | 0 |
Unique Aglycone
AD03525
Formula: C13H23ON2Cl
Smiles:
CCCC1CC(C(=O)NCC(C)Cl)N(C)C1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.92 |
| AlogP: | 1.85 | Num_rotatable_bonds: | 5 |
| MolWt: | 246.78 | Num_heavy_atoms: | 16 |
| TPSA: | 32.34 | NumAromaticRings: | 0 |
AD24820
Formula: H5O4P
Smiles:
O[PH](O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | -1.63 | Num_rotatable_bonds: | 0 |
| MolWt: | 100.01 | Num_heavy_atoms: | 5 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
