Glycoside
GD080875
Name:
NoneFormula:
C18H21O9N3Smiles:
CC(=O)Oc1cc2ncnc(N[C@H]3[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)c2cc1OC(C)=OAglycone:
CC(=O)Oc1cc2ncnc(N)c2cc1OC(C)=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | -1.31 | Num_rotatable_bonds: | 5 |
| MolWt: | 423.38 | Num_heavy_atoms: | 30 |
| TPSA: | 180.56 | NumAromaticRings: | 2 |
Unique Aglycone
AD36515
Formula: C12H11O4N3
Smiles:
CC(=O)Oc1cc2ncnc(N)c2cc1OC(C)=O| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 1.06 | Num_rotatable_bonds: | 2 |
| MolWt: | 261.24 | Num_heavy_atoms: | 19 |
| TPSA: | 104.4 | NumAromaticRings: | 2 |
