Glycoside
GD004887
Name:
NoneFormula:
C16H22O3N7ClSmiles:
CN(CC=CCN)C[C@@H]1O[C@H](n2cnc3c(N)nc(Cl)nc32)[C@H](O)[C@H]1OAglycone:
CN(C)CC=CCN.Nc1nc(Cl)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.53 |
| AlogP: | -0.87 | Num_rotatable_bonds: | 6 |
| MolWt: | 383.84 | Num_heavy_atoms: | 26 |
| TPSA: | 148.57 | NumAromaticRings: | 2 |
Unique Aglycone
AD00532
Formula: C6H3N5Cl
Smiles:
Nc1nc(Cl)nc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 0 |
| MolWt: | 168.57 | 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 |
