Glycoside
GD106583
Name:
NoneFormula:
C27H33O10N3FSmiles:
COc1c(N2C[C@@H]3CCC[NH2+][C@@H]3C2)c(F)cc2c(=O)c(C(=O)O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)cn(C3CC3)c12Aglycone:
COc1c(N2CC3CCC[NH2+]C3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.59 |
| AlogP: | -1.3 | Num_rotatable_bonds: | 6 |
| MolWt: | 578.57 | Num_heavy_atoms: | 41 |
| TPSA: | 184.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD44189
Formula: C21H25O4N3F
Smiles:
COc1c(N2CC3CCC[NH2+]C3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.52 |
| AlogP: | 1.34 | Num_rotatable_bonds: | 4 |
| MolWt: | 402.45 | Num_heavy_atoms: | 29 |
| TPSA: | 88.38 | NumAromaticRings: | 2 |
