Glycoside
GD092074
Name:
NoneFormula:
C19H29O4N6SSmiles:
OC[C@H]1O[C@@H](n2ccc3c(NC(=S)NCC[NH+]4CCCCC4)ncnc32)[C@H](O)[C@@H]1OAglycone:
S=C(NCC[NH+]1CCCCC1)Nc1ncnc2c1C=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.63 |
| AlogP: | -1.6 | Num_rotatable_bonds: | 6 |
| MolWt: | 437.55 | Num_heavy_atoms: | 30 |
| TPSA: | 129.13 | NumAromaticRings: | 2 |
Unique Aglycone
AD40198
Formula: C14H20N6S
Smiles:
S=C(NCC[NH+]1CCCCC1)Nc1ncnc2c1C=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 0.05 | Num_rotatable_bonds: | 4 |
| MolWt: | 304.42 | Num_heavy_atoms: | 21 |
| TPSA: | 68.38 | NumAromaticRings: | 1 |
