Glycoside
GD109549
Name:
NoneFormula:
C27H33O6N3F3SSmiles:
C[N+]1([C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1Aglycone:
C[NH+]1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.52 |
| AlogP: | 2.35 | Num_rotatable_bonds: | 6 |
| MolWt: | 584.64 | Num_heavy_atoms: | 40 |
| TPSA: | 113.7 | NumAromaticRings: | 2 |
Unique Aglycone
AD44552
Formula: C21H25N3F3S
Smiles:
C[NH+]1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1| HBA: | 3 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.43 |
| AlogP: | 3.53 | Num_rotatable_bonds: | 4 |
| MolWt: | 408.51 | Num_heavy_atoms: | 28 |
| TPSA: | 10.92 | NumAromaticRings: | 2 |
