Glycoside
GD031315
Name:
NoneFormula:
C20H22O7N10Smiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(NCCNc4ccc([N+](=O)[O-])c5nonc45)ncnc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.O=[N+]([O-])c1ccc(NCCNc2ncnc3c2N=C[N]3)c2nonc12Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | -0.45 | Num_rotatable_bonds: | 9 |
| MolWt: | 514.46 | Num_heavy_atoms: | 37 |
| TPSA: | 228.51 | NumAromaticRings: | 4 |
Unique Aglycone
AD00170
Formula: C3H7ON
Smiles:
CCNC=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD15582
Formula: C13H10O3N9
Smiles:
O=[N+]([O-])c1ccc(NCCNc2ncnc3c2N=C[N]3)c2nonc12| HBA: | 12 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.15 |
| AlogP: | 1.35 | Num_rotatable_bonds: | 6 |
| MolWt: | 340.28 | Num_heavy_atoms: | 25 |
| TPSA: | 158.36 | NumAromaticRings: | 3 |
