Glycoside
GD031725
Name:
NoneFormula:
C48H65O15N10FSmiles:
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(Cc4ccc(CN5CCN(c6cc7c(cc6F)c(=O)c(C(=O)O)cn7C6CC6)CC5)cc4)nn3)C[C@H]2N)[C@H](O)[C@H](O)[C@H]1OAglycone:
NC1CC(NC(=O)CCc2cn(Cc3ccc(CN4CCN(c5cc6c(cc5F)c(=O)c(C(=O)O)cn6C5CC5)CC4)cc3)nn2)C(O)C(O)C1OSugarmoiety:
NC1C(O)C(O)OC(CO)C1O.NCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 9 |
| HBD: | 15 | FractionCSP3: | 0.6 |
| AlogP: | -4.05 | Num_rotatable_bonds: | 17 |
| MolWt: | 1041.1 | Num_heavy_atoms: | 74 |
| TPSA: | 382.18 | NumAromaticRings: | 4 |
Unique Aglycone
AD20419
Formula: C36H43O7N8F
Smiles:
NC1CC(NC(=O)CCc2cn(Cc3ccc(CN4CCN(c5cc6c(cc5F)c(=O)c(C(=O)O)cn6C5CC5)CC4)cc3)nn2)C(O)C(O)C1O| HBA: | 15 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.47 |
| AlogP: | 0.37 | Num_rotatable_bonds: | 11 |
| MolWt: | 718.79 | Num_heavy_atoms: | 52 |
| TPSA: | 212.3 | NumAromaticRings: | 4 |
