Glycoside
GD000936
Name:
NoneFormula:
C28H36O10N6Smiles:
CC(=Cc1ccc(O[C@@H]2O[C@H]([C@H](C)O)[C@H](O)[C@H]2O)c(O)c1)C(=O)N[C@@H]1C(O)[C@H](n2cnc3c(N(C)C)ncnc32)O[C@H]1COAglycone:
CC(=Cc1ccc(O)c(O)c1)C(=O)NC1C(CO)OC(n2cnc3c(N(C)C)ncnc32)C1OSugarmoiety:
CC(O)C1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -1.36 | Num_rotatable_bonds: | 9 |
| MolWt: | 616.63 | Num_heavy_atoms: | 44 |
| TPSA: | 225.01 | NumAromaticRings: | 3 |
Unique Aglycone
AD00979
Formula: C22H26O6N6
Smiles:
CC(=Cc1ccc(O)c(O)c1)C(=O)NC1C(CO)OC(n2cnc3c(N(C)C)ncnc32)C1O| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.36 |
| AlogP: | 0.14 | Num_rotatable_bonds: | 6 |
| MolWt: | 470.49 | Num_heavy_atoms: | 34 |
| TPSA: | 166.09 | NumAromaticRings: | 3 |
