Glycoside
GD000826
Name:
NoneFormula:
C32H34O11N6Smiles:
COc1ccc(NN=C2C(=O)N(Cc3cn(O[C@@H]4O[C@H](CC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]4OC(C)=O)nn3)c3ccccc32)cc1Aglycone:
COc1ccc(NN=C2C(=O)N(Cc3cn(O)nn3)c3ccccc32)cc1Sugarmoiety:
CC(=O)CC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.38 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 12 |
| MolWt: | 678.66 | Num_heavy_atoms: | 49 |
| TPSA: | 199.07 | NumAromaticRings: | 3 |
Unique Aglycone
AD00864
Formula: C18H16O3N6
Smiles:
COc1ccc(NN=C2C(=O)N(Cc3cn(O)nn3)c3ccccc32)cc1| HBA: | 9 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.11 |
| AlogP: | 1.89 | Num_rotatable_bonds: | 5 |
| MolWt: | 364.37 | Num_heavy_atoms: | 27 |
| TPSA: | 104.87 | NumAromaticRings: | 3 |
