Glycoside
GD017016
Name:
NoneFormula:
C19H34O8N2PClSSmiles:
CCC[C@@H]1C[C@H](C(=O)NC(C(C)Cl)C2O[C@H](SC)C(OP(=O)(O)O)[C@H](O)[C@H]2O)N(C)C1Aglycone:
CCCC1CC(C(=O)NCC(C)Cl)N(C)C1.O=P(O)(O)OSugarmoiety:
CSC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.94 |
| AlogP: | 0.51 | Num_rotatable_bonds: | 9 |
| MolWt: | 504.97 | Num_heavy_atoms: | 31 |
| TPSA: | 148.79 | NumAromaticRings: | 0 |
Unique Aglycone
AD00019
Formula: H3O4P
Smiles:
O=P(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 0 |
| MolWt: | 97.99 | Num_heavy_atoms: | 5 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
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 |
