Glycoside
GD000261
Name:
NoneFormula:
C41H61O15N10FSmiles:
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(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(NCc2cn(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: | 25 | RingCount: | 8 |
| HBD: | 16 | FractionCSP3: | 0.71 |
| AlogP: | -6.2 | Num_rotatable_bonds: | 16 |
| MolWt: | 952.99 | Num_heavy_atoms: | 67 |
| TPSA: | 385.34 | NumAromaticRings: | 3 |
Unique Aglycone
AD00302
Formula: C29H39O7N8F
Smiles:
NC1CC(NCc2cn(CC(O)CN3CCN(c4cc5c(cc4F)c(=O)c(C(=O)O)cn5C4CC4)CC3)nn2)C(O)C(O)C1O| HBA: | 15 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.59 |
| AlogP: | -1.78 | Num_rotatable_bonds: | 10 |
| MolWt: | 630.68 | Num_heavy_atoms: | 45 |
| TPSA: | 215.46 | NumAromaticRings: | 3 |
