Glycoside
GD024068
Name:
NoneFormula:
C43H63O16N10FSmiles:
NC[C@@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](N)[C@H]3O)[C@@H](NC(=O)CCc3cn(CC(O)CN4CCN(c5cc6c(cc5F)c(=O)c(C(=O)O)cn6C5CC5)CC4)nn3)C[C@H]2N)[C@H](O)[C@H](O)[C@H]1OAglycone:
NC1CC(NC(=O)CCc2cn(CC(O)CN3CCN(c4cc5c(cc4F)c(=O)c(C(=O)O)cn5C4CC4)CC3)nn2)C(O)C(O)C1OSugarmoiety:
NC1C(O)C(O)OC(CO)C1O.NCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 26 | RingCount: | 8 |
| HBD: | 16 | FractionCSP3: | 0.7 |
| AlogP: | -6.24 | Num_rotatable_bonds: | 17 |
| MolWt: | 995.03 | Num_heavy_atoms: | 70 |
| TPSA: | 402.41 | NumAromaticRings: | 3 |
Unique Aglycone
AD16111
Formula: C31H41O8N8F
Smiles:
NC1CC(NC(=O)CCc2cn(CC(O)CN3CCN(c4cc5c(cc4F)c(=O)c(C(=O)O)cn5C4CC4)CC3)nn2)C(O)C(O)C1O| HBA: | 16 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.58 |
| AlogP: | -1.82 | Num_rotatable_bonds: | 11 |
| MolWt: | 672.72 | Num_heavy_atoms: | 48 |
| TPSA: | 232.53 | NumAromaticRings: | 3 |
