Glycoside
GD025687
Name:
NoneFormula:
C17H18O5N4Smiles:
Cc1ccc2cc3c(N=COC[C@H](O)[C@H](O)[C@H](O)C=O)n[nH]c3nc2c1Aglycone:
C=Nc1n[nH]c2nc3cc(C)ccc3cc12Sugarmoiety:
O=CC(O)C(O)C(O)COOOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | 0.38 | Num_rotatable_bonds: | 7 |
| MolWt: | 358.35 | Num_heavy_atoms: | 26 |
| TPSA: | 140.92 | NumAromaticRings: | 3 |
Unique Aglycone
AD17009
Formula: C12H10N4
Smiles:
C=Nc1n[nH]c2nc3cc(C)ccc3cc12| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 2.75 | Num_rotatable_bonds: | 1 |
| MolWt: | 210.24 | Num_heavy_atoms: | 16 |
| TPSA: | 53.93 | NumAromaticRings: | 3 |
