Glycoside
GD155857
Name:
A-503083 EFormula:
C19H24O13N4Smiles:
COC(=O)C1=CC(O)C(O)C(OC(C(=N)O)C2OC(n3ccc(O)nc3=O)C(OC(=N)O)C2OC)O1Aglycone:
COC(=O)C1=CC(O)C(O)C(OCC(=N)O)O1.O=c1nc(O)cc[nH]1Sugarmoiety:
COC1C(O)OC(O)C1OC(=N)OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.53 |
| AlogP: | -2.21 | Num_rotatable_bonds: | 8 |
| MolWt: | 516.42 | Num_heavy_atoms: | 36 |
| TPSA: | 256.19 | NumAromaticRings: | 1 |
Unique Aglycone
AD15478
Formula: C4H4O2N2
Smiles:
O=c1nc(O)cc[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.52 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.98 | NumAromaticRings: | 1 |
AD56836
Formula: C9H13O7N
Smiles:
COC(=O)C1=CC(O)C(O)C(OCC(=N)O)O1| HBA: | 8 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | -1.33 | Num_rotatable_bonds: | 4 |
| MolWt: | 247.2 | Num_heavy_atoms: | 17 |
| TPSA: | 129.3 | NumAromaticRings: | 0 |
