Glycoside
GD006908
Name:
NoneFormula:
C37H55O16N6F3SSmiles:
O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12)NCCOCCOCCOc1cc(C2(C(F)(F)F)N=N2)ccc1CON=C[C@H](O)[C@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)COAglycone:
C=NOCc1ccc(C2(C(F)(F)F)N=N2)cc1OCCOCCOCCNC(=O)CCCCC1SCC2NC(=O)NC21Sugarmoiety:
OCC(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.76 |
| AlogP: | -2.12 | Num_rotatable_bonds: | 27 |
| MolWt: | 928.93 | Num_heavy_atoms: | 63 |
| TPSA: | 324.53 | NumAromaticRings: | 1 |
Unique Aglycone
AD05668
Formula: C26H35O6N6F3S
Smiles:
C=NOCc1ccc(C2(C(F)(F)F)N=N2)cc1OCCOCCOCCNC(=O)CCCCC1SCC2NC(=O)NC21| HBA: | 12 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.65 |
| AlogP: | 3.25 | Num_rotatable_bonds: | 19 |
| MolWt: | 616.66 | Num_heavy_atoms: | 42 |
| TPSA: | 144.23 | NumAromaticRings: | 1 |
