Glycoside
GD108540
Name:
NoneFormula:
C26H25O9N5Smiles:
CC(=O)OC[C@H]1O[C@@H](n2nnc3cc4nc5ccccc5nc4cc32)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.c1ccc2nc3cc4c(cc3nc2c1)[N]N=N4Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.38 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 6 |
| MolWt: | 551.51 | Num_heavy_atoms: | 40 |
| TPSA: | 170.92 | NumAromaticRings: | 4 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD44443
Formula: C12H6N5
Smiles:
c1ccc2nc3cc4c(cc3nc2c1)[N]N=N4| HBA: | 5 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 3.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 220.22 | Num_heavy_atoms: | 17 |
| TPSA: | 64.6 | NumAromaticRings: | 3 |
