Glycoside
GD004127
Name:
NoneFormula:
C23H29O9N4F3Smiles:
NC[C@@H]1O[C@H](O[C@H](CNCc2ccc(OC(F)(F)F)cc2)[C@@H]2C[C@H](O)[C@H](n3ccc(=O)[nH]c3=O)O2)[C@H](O)[C@H]1OAglycone:
O=c1ccn(C2OC(C(O)CNCc3ccc(OC(F)(F)F)cc3)CC2O)c(=O)[nH]1Sugarmoiety:
NCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.57 |
| AlogP: | -1.34 | Num_rotatable_bonds: | 10 |
| MolWt: | 562.5 | Num_heavy_atoms: | 39 |
| TPSA: | 190.52 | NumAromaticRings: | 2 |
Unique Aglycone
AD03653
Formula: C18H20O6N3F3
Smiles:
O=c1ccn(C2OC(C(O)CNCc3ccc(OC(F)(F)F)cc3)CC2O)c(=O)[nH]1| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | 0.23 | Num_rotatable_bonds: | 7 |
| MolWt: | 431.37 | Num_heavy_atoms: | 30 |
| TPSA: | 125.81 | NumAromaticRings: | 2 |
