Glycoside
GD032171
Name:
NoneFormula:
C31H38O10N7ClSSmiles:
CN(C)C(=O)[C@@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(Cl)cn2)[C@H](NC(=O)c2nc3c(s2)C[N+](C)([C@@H]2O[C@H](C(=O)[O-])[C@H](O)[C@H](O)[C@H]2O)CC3)C1Aglycone:
CN(C)C(=O)C1CCC(NC(=O)C(=O)Nc2ccc(Cl)cn2)C(NC(=O)c2nc3c(s2)C[NH+](C)CC3)C1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.57 |
| AlogP: | -2.64 | Num_rotatable_bonds: | 7 |
| MolWt: | 724.19 | Num_heavy_atoms: | 49 |
| TPSA: | 243.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD20655
Formula: C25H31O4N7ClS
Smiles:
CN(C)C(=O)C1CCC(NC(=O)C(=O)Nc2ccc(Cl)cn2)C(NC(=O)c2nc3c(s2)C[NH+](C)CC3)C1| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -0.13 | Num_rotatable_bonds: | 5 |
| MolWt: | 549.08 | Num_heavy_atoms: | 37 |
| TPSA: | 137.83 | NumAromaticRings: | 2 |
