Glycoside
GD030359
Name:
NoneFormula:
C28H46O19N5FSmiles:
CC(=O)N[C@H]1[C@H](O[C@@H]2O[C@H](CF)[C@H](O)[C@H](O[C@@]3(C(=O)O)C[C@H](O)[C@H](NC(=O)CO)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@@H](O)[C@@H](CO)O[C@H]1OCCCN=[N+]=[N-]Aglycone:
O=C(CO)NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CO.[N-]=[N+]=NCCCOSugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OC1OC(CF)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 3 |
| HBD: | 12 | FractionCSP3: | 0.89 |
| AlogP: | -6.41 | Num_rotatable_bonds: | 18 |
| MolWt: | 775.69 | Num_heavy_atoms: | 53 |
| TPSA: | 381.71 | NumAromaticRings: | 0 |
Unique Aglycone
AD09348
Formula: C3H7ON3
Smiles:
[N-]=[N+]=NCCCO| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 0.68 | Num_rotatable_bonds: | 3 |
| MolWt: | 101.11 | Num_heavy_atoms: | 7 |
| TPSA: | 68.99 | NumAromaticRings: | 0 |
AD19645
Formula: C11H19O10N
Smiles:
O=C(CO)NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CO| HBA: | 11 | RingCount: | 1 |
| HBD: | 8 | FractionCSP3: | 0.82 |
| AlogP: | -4.9 | Num_rotatable_bonds: | 6 |
| MolWt: | 325.27 | Num_heavy_atoms: | 22 |
| TPSA: | 197.01 | NumAromaticRings: | 0 |
