Glycoside
GD083941
Name:
NoneFormula:
C18H23O5N7Smiles:
OC[C@H]1O[C@@H](n2cnc3c(Nc4cnn(C[C@@H]5CCCO5)c4)ncnc32)[C@H](O)[C@@H]1OAglycone:
C1=Nc2c(ncnc2Nc2cnn(CC3CCCO3)c2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | -0.44 | Num_rotatable_bonds: | 6 |
| MolWt: | 417.43 | Num_heavy_atoms: | 30 |
| TPSA: | 152.6 | NumAromaticRings: | 3 |
Unique Aglycone
AD37438
Formula: C13H14ON7
Smiles:
C1=Nc2c(ncnc2Nc2cnn(CC3CCCO3)c2)[N]1| HBA: | 8 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.38 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 4 |
| MolWt: | 284.3 | Num_heavy_atoms: | 21 |
| TPSA: | 91.32 | NumAromaticRings: | 2 |
