Glycoside
GD089470
Name:
NoneFormula:
C18H25O9N4Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2cc(N)[nH+]cn2)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.Nc1cc(N)[nH+]cn1Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | -1.03 | Num_rotatable_bonds: | 7 |
| MolWt: | 441.42 | Num_heavy_atoms: | 31 |
| TPSA: | 179.51 | NumAromaticRings: | 1 |
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 |
AD39030
Formula: C4H7N4
Smiles:
Nc1cc(N)[nH+]cn1| HBA: | 4 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.13 | Num_heavy_atoms: | 8 |
| TPSA: | 79.07 | NumAromaticRings: | 1 |
