Glycoside
GD021326
Name:
NoneFormula:
C39H56O15N7F3SSmiles:
O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCCCC[C@H](NC(=O)c1ccc(C2(C(F)(F)F)N=N2)cc1)C(=O)NCCO[C@@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1OAglycone:
O=C(CCCCC1SCC2NC(=O)NC21)NCCCCC(NC(=O)c1ccc(C2(C(F)(F)F)N=N2)cc1)C(=O)NCCOSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.74 |
| AlogP: | -2.26 | Num_rotatable_bonds: | 22 |
| MolWt: | 951.97 | Num_heavy_atoms: | 65 |
| TPSA: | 331.68 | NumAromaticRings: | 1 |
Unique Aglycone
AD14600
Formula: C27H36O5N7F3S
Smiles:
O=C(CCCCC1SCC2NC(=O)NC21)NCCCCC(NC(=O)c1ccc(C2(C(F)(F)F)N=N2)cc1)C(=O)NCCO| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.63 |
| AlogP: | 2.09 | Num_rotatable_bonds: | 16 |
| MolWt: | 627.69 | Num_heavy_atoms: | 43 |
| TPSA: | 173.38 | NumAromaticRings: | 1 |
