Glycoside
GD028993
Name:
NoneFormula:
C23H27O10N4F3Smiles:
NC[C@@H]1O[C@H](O[C@H](CNC(=O)c2cccc(OC(F)(F)F)c2)[C@@H]2C[C@H](O)[C@H](n3ccc(=O)[nH]c3=O)O2)[C@H](O)[C@H]1OAglycone:
O=C(NCC(O)C1CC(O)C(n2ccc(=O)[nH]c2=O)O1)c1cccc(OC(F)(F)F)c1Sugarmoiety:
NCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.52 |
| AlogP: | -1.7 | Num_rotatable_bonds: | 9 |
| MolWt: | 576.48 | Num_heavy_atoms: | 40 |
| TPSA: | 207.59 | NumAromaticRings: | 2 |
Unique Aglycone
AD18899
Formula: C18H18O7N3F3
Smiles:
O=C(NCC(O)C1CC(O)C(n2ccc(=O)[nH]c2=O)O1)c1cccc(OC(F)(F)F)c1| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.39 |
| AlogP: | -0.13 | Num_rotatable_bonds: | 6 |
| MolWt: | 445.35 | Num_heavy_atoms: | 31 |
| TPSA: | 142.88 | NumAromaticRings: | 2 |
