Glycoside
GD009892
Name:
NoneFormula:
C20H27O3N7Smiles:
CNCCCNC[C@@H]1O[C@H](n2c(-c3ccccc3)nc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CNCCCNC.Nc1ncnc2c1N=C(c1ccccc1)[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.45 |
| AlogP: | -0.11 | Num_rotatable_bonds: | 8 |
| MolWt: | 413.48 | Num_heavy_atoms: | 30 |
| TPSA: | 143.37 | NumAromaticRings: | 3 |
Unique Aglycone
AD05547
Formula: C11H8N5
Smiles:
Nc1ncnc2c1N=C(c1ccccc1)[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 1 |
| MolWt: | 210.22 | Num_heavy_atoms: | 16 |
| TPSA: | 78.26 | NumAromaticRings: | 2 |
AD07713
Formula: C5H14N2
Smiles:
CNCCCNC| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.18 | Num_rotatable_bonds: | 4 |
| MolWt: | 102.18 | Num_heavy_atoms: | 7 |
| TPSA: | 24.06 | NumAromaticRings: | 0 |
