Glycoside
GD014902
Name:
NoneFormula:
C23H29O8N4F3SSmiles:
NC[C@@H]1O[C@H](O[C@H](CNCc2ccc(SC(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(SC(F)(F)F)cc3)CC2O)c(=O)[nH]1Sugarmoiety:
NCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.57 |
| AlogP: | -0.62 | Num_rotatable_bonds: | 10 |
| MolWt: | 578.57 | Num_heavy_atoms: | 39 |
| TPSA: | 181.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD10911
Formula: C18H20O5N3F3S
Smiles:
O=c1ccn(C2OC(C(O)CNCc3ccc(SC(F)(F)F)cc3)CC2O)c(=O)[nH]1| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | 0.95 | Num_rotatable_bonds: | 7 |
| MolWt: | 447.44 | Num_heavy_atoms: | 30 |
| TPSA: | 116.58 | NumAromaticRings: | 2 |
