Glycoside
GD093646
Name:
NoneFormula:
C22H27O9N3FSmiles:
CCn1cc(C(=O)O[C@@H]2O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)c(=O)c2cc(F)c(N3CC[NH2+]CC3)cc21Aglycone:
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CC[NH2+]CC3)cc21Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -2.41 | Num_rotatable_bonds: | 5 |
| MolWt: | 496.47 | Num_heavy_atoms: | 35 |
| TPSA: | 175.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD40437
Formula: C16H19O3N3F
Smiles:
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CC[NH2+]CC3)cc21| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.38 |
| AlogP: | 0.24 | Num_rotatable_bonds: | 3 |
| MolWt: | 320.34 | Num_heavy_atoms: | 23 |
| TPSA: | 79.15 | NumAromaticRings: | 2 |
