Glycoside
GD060060
Name:
NoneFormula:
C16H21O4N5Smiles:
OC[C@@H]1O[C@H](n2cnc3c(N[C@@H]4CC=CCC4)ncnc32)[C@H](O)[C@@H]1OAglycone:
C1=CCC(Nc2ncnc3c2N=C[N]3)CC1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 4 |
| MolWt: | 347.38 | Num_heavy_atoms: | 25 |
| TPSA: | 125.55 | NumAromaticRings: | 2 |
Unique Aglycone
AD05032
Formula: C11H12N5
Smiles:
C1=CCC(Nc2ncnc3c2N=C[N]3)CC1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.36 |
| AlogP: | 1.91 | Num_rotatable_bonds: | 2 |
| MolWt: | 214.25 | Num_heavy_atoms: | 16 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
