Glycoside
GD024441
Name:
NoneFormula:
C47H76O12N5F3Smiles:
CO[C@@]1(C)C[C@H](C)[C@H](O)[C@H](C)CN(C)C[C@H](COCc2cn(-c3cccc(C(F)(F)F)c3)nn2)OC(=O)[C@@H](C)[C@H](O[C@H]2C[C@](C)(OC)[C@H](O)[C@@H](C)O2)[C@H](C)[C@@H]1O[C@@H]1O[C@H](C)C[C@H](N(C)C)[C@H]1OAglycone:
COC1(C)CC(C)C(O)C(C)CN(C)CC(COCc2cn(-c3cccc(C(F)(F)F)c3)nn2)OC(=O)C(C)C(O)C(C)C1OC1OC(C)CC(N(C)C)C1OSugarmoiety:
COC1(C)CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.81 |
| AlogP: | 4.46 | Num_rotatable_bonds: | 12 |
| MolWt: | 960.14 | Num_heavy_atoms: | 67 |
| TPSA: | 188.79 | NumAromaticRings: | 2 |
Unique Aglycone
AD16312
Formula: C39H62O9N5F3
Smiles:
COC1(C)CC(C)C(O)C(C)CN(C)CC(COCc2cn(-c3cccc(C(F)(F)F)c3)nn2)OC(=O)C(C)C(O)C(C)C1OC1OC(C)CC(N(C)C)C1O| HBA: | 14 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.77 |
| AlogP: | 3.53 | Num_rotatable_bonds: | 9 |
| MolWt: | 801.95 | Num_heavy_atoms: | 56 |
| TPSA: | 161.1 | NumAromaticRings: | 2 |
