Glycoside
GD098957
Name:
NoneFormula:
C21H27O7N6Smiles:
CC(=O)OC[C@H]1O[C@@H](n2cnc3c(N4C[C@@H]5C[C@]5([NH3+])C4)ncnc32)[C@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.[NH3+]C12CC1CN(c1ncnc3c1N=C[N]3)C2Sugarmoiety:
CC(=O)OC1C(O)OC(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.62 |
| AlogP: | -1.03 | Num_rotatable_bonds: | 6 |
| MolWt: | 475.48 | Num_heavy_atoms: | 34 |
| TPSA: | 162.61 | 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 |
AD42118
Formula: C10H12N6
Smiles:
[NH3+]C12CC1CN(c1ncnc3c1N=C[N]3)C2| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | -0.79 | Num_rotatable_bonds: | 1 |
| MolWt: | 216.25 | Num_heavy_atoms: | 16 |
| TPSA: | 83.12 | NumAromaticRings: | 1 |
