Glycoside
GD002288
Name:
NoneFormula:
C17H17O4N3Smiles:
OC[C@@H]1O[C@H](n2ccc3c(-c4ccccc4)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Cc2c(ncnc2-c2ccccc2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | 0.71 | Num_rotatable_bonds: | 3 |
| MolWt: | 327.34 | Num_heavy_atoms: | 24 |
| TPSA: | 100.63 | NumAromaticRings: | 3 |
Unique Aglycone
AD02199
Formula: C12H8N3
Smiles:
C1=Cc2c(ncnc2-c2ccccc2)[N]1| HBA: | 3 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 2.36 | Num_rotatable_bonds: | 1 |
| MolWt: | 194.22 | Num_heavy_atoms: | 15 |
| TPSA: | 39.88 | NumAromaticRings: | 2 |
