Glycoside
GD062779
Name:
NoneFormula:
C14H18O8N4Smiles:
CC(=O)[C@@H](O)[C@H]1O[C@@H](n2cnc(N)nc2=O)[C@@](O)(C(C)=O)[C@@]1(O)C(C)=OAglycone:
CC(=O)CO.Nc1nc[nH]c(=O)n1Sugarmoiety:
CC(=O)C1(O)C(O)OC(O)C1(O)C(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.57 |
| AlogP: | -3.29 | Num_rotatable_bonds: | 5 |
| MolWt: | 370.32 | Num_heavy_atoms: | 26 |
| TPSA: | 194.93 | NumAromaticRings: | 1 |
Unique Aglycone
AD01340
Formula: C3H4ON4
Smiles:
Nc1nc[nH]c(=O)n1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -1.25 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 84.66 | NumAromaticRings: | 1 |
AD12135
Formula: C3H6O2
Smiles:
CC(=O)CO| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.43 | Num_rotatable_bonds: | 1 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
