Glycoside
GD037341
Name:
NoneFormula:
C48H78O13N7FSmiles:
NC[C@@H]1O[C@H](O[C@H]2[C@H](OCCCCCCCCCCCCN3CCC(c4cc5c(cc4F)c(=O)c(C(=O)O)cn5C4CC4)CC3)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](N)[C@H]3O)[C@@H](N)C[C@H]2N)[C@H](N)[C@H](O)[C@H]1OAglycone:
NC1CC(N)C(O)C(OCCCCCCCCCCCCN2CCC(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)CC2)C1OSugarmoiety:
NC1C(O)C(O)OC(CO)C1O.NCC1OC(O)C(N)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 7 |
| HBD: | 16 | FractionCSP3: | 0.79 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 23 |
| MolWt: | 980.19 | Num_heavy_atoms: | 69 |
| TPSA: | 339.94 | NumAromaticRings: | 2 |
Unique Aglycone
AD23532
Formula: C36H55O6N4F
Smiles:
NC1CC(N)C(O)C(OCCCCCCCCCCCCN2CCC(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)CC2)C1O| HBA: | 10 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.72 |
| AlogP: | 4.42 | Num_rotatable_bonds: | 17 |
| MolWt: | 658.86 | Num_heavy_atoms: | 47 |
| TPSA: | 164.27 | NumAromaticRings: | 2 |
