Glycoside
GD004948
Name:
NoneFormula:
C16H25O3N7Smiles:
Cc1nc(N)c2ncn([C@@H]3O[C@H](CN(C)CC=CCN)[C@H](O)[C@H]3O)c2n1Aglycone:
CN(C)CC=CCN.Cc1nc(N)c2c(n1)[N]C=N2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | -1.22 | Num_rotatable_bonds: | 6 |
| MolWt: | 363.42 | Num_heavy_atoms: | 26 |
| TPSA: | 148.57 | NumAromaticRings: | 2 |
Unique Aglycone
AD01302
Formula: C6H6N5
Smiles:
Cc1nc(N)c2c(n1)[N]C=N2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 0 |
| MolWt: | 148.15 | Num_heavy_atoms: | 11 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD04213
Formula: C6H14N2
Smiles:
CN(C)CC=CCN| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 0.06 | Num_rotatable_bonds: | 3 |
| MolWt: | 114.19 | Num_heavy_atoms: | 8 |
| TPSA: | 29.26 | NumAromaticRings: | 0 |
