Glycoside
GD004886
Name:
NoneFormula:
C18H28O3N6Smiles:
CCCNC[C@@H]1O[C@H](n2cnc3c(NC4CCCC4)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2NC2CCCC2)[N]1.CCCNCSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.72 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 7 |
| MolWt: | 376.46 | Num_heavy_atoms: | 27 |
| TPSA: | 117.35 | NumAromaticRings: | 2 |
Unique Aglycone
AD00959
Formula: C10H12N5
Smiles:
C1=Nc2c(ncnc2NC2CCCC2)[N]1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 1.74 | Num_rotatable_bonds: | 2 |
| MolWt: | 202.24 | Num_heavy_atoms: | 15 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
AD02160
Formula: C4H11N
Smiles:
CCCNC| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 2 |
| MolWt: | 73.14 | Num_heavy_atoms: | 5 |
| TPSA: | 12.03 | NumAromaticRings: | 0 |
