Glycoside
GD002605
Name:
NoneFormula:
C20H32O14N4Smiles:
CC(=O)N[C@@H]1[C@H](O)C[C@](OCc2cn([C@H]3[C@H](O)[C@@H](O)O[C@@H](CO)[C@H]3O)nn2)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)COAglycone:
CC(=O)NC1C(O)CC(OCC2=C[N]N=N2)(C(=O)O)OC1C(O)C(O)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.8 |
| AlogP: | -6.08 | Num_rotatable_bonds: | 10 |
| MolWt: | 552.49 | Num_heavy_atoms: | 38 |
| TPSA: | 286.64 | NumAromaticRings: | 1 |
Unique Aglycone
AD01574
Formula: C14H21O9N4
Smiles:
CC(=O)NC1C(O)CC(OCC2=C[N]N=N2)(C(=O)O)OC1C(O)C(O)CO| HBA: | 13 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.71 |
| AlogP: | -3.02 | Num_rotatable_bonds: | 8 |
| MolWt: | 389.34 | Num_heavy_atoms: | 27 |
| TPSA: | 204.6 | NumAromaticRings: | 0 |
