Glycoside
GD021481
Name:
NoneFormula:
C44H67O14N10FSmiles:
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](NCc3cn(CCCCCCN4CCN(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(NCc2cn(CCCCCCN3CCN(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: | 24 | RingCount: | 8 |
| HBD: | 15 | FractionCSP3: | 0.73 |
| AlogP: | -4.0 | Num_rotatable_bonds: | 19 |
| MolWt: | 979.07 | Num_heavy_atoms: | 69 |
| TPSA: | 365.11 | NumAromaticRings: | 3 |
Unique Aglycone
AD14687
Formula: C32H45O6N8F
Smiles:
NC1CC(NCc2cn(CCCCCCN3CCN(c4cc5c(cc4F)c(=O)c(C(=O)O)cn5C4CC4)CC3)nn2)C(O)C(O)C1O| HBA: | 14 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.62 |
| AlogP: | 0.42 | Num_rotatable_bonds: | 13 |
| MolWt: | 656.76 | Num_heavy_atoms: | 47 |
| TPSA: | 195.23 | NumAromaticRings: | 3 |
