Glycoside
GD033246
Name:
NoneFormula:
C44H65O16N10FSmiles:
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)CCCc3cn(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)CCCc2cn(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: | -5.85 | Num_rotatable_bonds: | 18 |
| MolWt: | 1009.06 | Num_heavy_atoms: | 71 |
| TPSA: | 402.41 | NumAromaticRings: | 3 |
Unique Aglycone
AD21237
Formula: C32H43O8N8F
Smiles:
NC1CC(NC(=O)CCCc2cn(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: | 0.59 |
| AlogP: | -1.43 | Num_rotatable_bonds: | 12 |
| MolWt: | 686.74 | Num_heavy_atoms: | 49 |
| TPSA: | 232.53 | NumAromaticRings: | 3 |
