Glycoside
GD098631
Name:
NoneFormula:
C20H26O9N6Smiles:
COCCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
COC(C)=O.COCCNC(=O)Nc1ncnc2c1N=C[N]2Sugarmoiety:
CC(=O)OC1C(O)OC(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.55 |
| AlogP: | -0.08 | Num_rotatable_bonds: | 9 |
| MolWt: | 494.46 | Num_heavy_atoms: | 35 |
| TPSA: | 182.09 | NumAromaticRings: | 2 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD34584
Formula: C9H11O2N6
Smiles:
COCCNC(=O)Nc1ncnc2c1N=C[N]2| HBA: | 8 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 0.15 | Num_rotatable_bonds: | 4 |
| MolWt: | 235.23 | Num_heavy_atoms: | 17 |
| TPSA: | 102.6 | NumAromaticRings: | 1 |
