Glycoside
GD000018
Name:
NoneFormula:
C16H21O5N5Smiles:
OC[C@@H]1O[C@H](n2cnc3c(C=CN4CCOCC4)ncnc32)[C@H](O)[C@H]1OAglycone:
C(=CN1CCOCC1)c1ncnc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.56 |
| AlogP: | -1.26 | Num_rotatable_bonds: | 4 |
| MolWt: | 363.37 | Num_heavy_atoms: | 26 |
| TPSA: | 125.99 | NumAromaticRings: | 2 |
Unique Aglycone
AD00024
Formula: C11H12ON5
Smiles:
C(=CN1CCOCC1)c1ncnc2c1N=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.36 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 2 |
| MolWt: | 230.25 | Num_heavy_atoms: | 17 |
| TPSA: | 64.71 | NumAromaticRings: | 1 |
