Glycoside
GD016531
Name:
NoneFormula:
C18H27O4N7Smiles:
CNC(=O)[C@@H]1O[C@H](n2cnc3c(NC4CCCC4)nc(N(C)C)nc32)[C@H](O)[C@H]1OAglycone:
CN(C)c1nc2c(c(NC3CCCC3)n1)N=C[N]2Sugarmoiety:
CNC(=O)C1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | -0.39 | Num_rotatable_bonds: | 5 |
| MolWt: | 405.46 | Num_heavy_atoms: | 29 |
| TPSA: | 137.66 | NumAromaticRings: | 2 |
Unique Aglycone
AD11889
Formula: C12H17N6
Smiles:
CN(C)c1nc2c(c(NC3CCCC3)n1)N=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.58 |
| AlogP: | 1.81 | Num_rotatable_bonds: | 3 |
| MolWt: | 245.31 | Num_heavy_atoms: | 18 |
| TPSA: | 67.51 | NumAromaticRings: | 1 |
