Glycoside
GD010373
Name:
NoneFormula:
C28H50O10N8Smiles:
Cc1cn([C@@H]2C[C@H](O)[C@H](C(=O)NCCCCCCN[C@H]3[C@H](O[C@@H]4O[C@H](CN)[C@H](O)[C@H](O)[C@H]4N)[C@@H](N)C[C@@H](N)[C@H]3O)O2)c(=O)[nH]c1=OAglycone:
Cc1cn(C2CC(O)C(C(=O)NCCCCCCNC3C(O)C(N)CC(N)C3O)O2)c(=O)[nH]c1=OSugarmoiety:
NCC1OC(O)C(N)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 15 | FractionCSP3: | 0.82 |
| AlogP: | -5.33 | Num_rotatable_bonds: | 13 |
| MolWt: | 658.75 | Num_heavy_atoms: | 46 |
| TPSA: | 308.68 | NumAromaticRings: | 1 |
Unique Aglycone
AD08022
Formula: C22H38O7N6
Smiles:
Cc1cn(C2CC(O)C(C(=O)NCCCCCCNC3C(O)C(N)CC(N)C3O)O2)c(=O)[nH]c1=O| HBA: | 13 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.77 |
| AlogP: | -3.09 | Num_rotatable_bonds: | 10 |
| MolWt: | 498.58 | Num_heavy_atoms: | 35 |
| TPSA: | 217.95 | NumAromaticRings: | 1 |
