Glycoside
GD029335
Name:
NoneFormula:
C19H21O6N7Smiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(NCc4cccc([N+](=O)[O-])c4)ncnc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.O=[N+]([O-])c1cccc(CNc2ncnc3c2N=C[N]3)c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.37 |
| AlogP: | 0.1 | Num_rotatable_bonds: | 7 |
| MolWt: | 443.42 | Num_heavy_atoms: | 32 |
| TPSA: | 177.56 | NumAromaticRings: | 3 |
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 |
AD01342
Formula: C12H9O2N6
Smiles:
O=[N+]([O-])c1cccc(CNc2ncnc3c2N=C[N]3)c1| HBA: | 8 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 1.91 | Num_rotatable_bonds: | 4 |
| MolWt: | 269.24 | Num_heavy_atoms: | 20 |
| TPSA: | 107.41 | NumAromaticRings: | 2 |
