Glycoside
GD032349
Name:
NoneFormula:
C17H18O5N4Smiles:
OC[C@H](O)[C@@H]1O[C@H](n2cnc3c(-c4ccccc4)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2-c2ccccc2)[N]1Sugarmoiety:
OCC(O)C1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | -0.53 | Num_rotatable_bonds: | 4 |
| MolWt: | 358.35 | Num_heavy_atoms: | 26 |
| TPSA: | 133.75 | NumAromaticRings: | 3 |
Unique Aglycone
AD05457
Formula: C11H7N4
Smiles:
C1=Nc2c(ncnc2-c2ccccc2)[N]1| HBA: | 4 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 2.05 | Num_rotatable_bonds: | 1 |
| MolWt: | 195.21 | Num_heavy_atoms: | 15 |
| TPSA: | 52.24 | NumAromaticRings: | 2 |
