Glycoside
GD103619
Name:
NoneFormula:
C20H21O6N7Smiles:
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(/C=C/[N+](=O)[O-])cc4)ncnc32)[C@H](O)[C@@H]1OAglycone:
CCNC=O.O=[N+]([O-])C=Cc1ccc(Nc2ncnc3c2N=C[N]3)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | 0.57 | Num_rotatable_bonds: | 7 |
| MolWt: | 455.43 | Num_heavy_atoms: | 33 |
| 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 |
AD43829
Formula: C13H9O2N6
Smiles:
O=[N+]([O-])C=Cc1ccc(Nc2ncnc3c2N=C[N]3)cc1| HBA: | 8 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.38 | Num_rotatable_bonds: | 4 |
| MolWt: | 281.25 | Num_heavy_atoms: | 21 |
| TPSA: | 107.41 | NumAromaticRings: | 2 |
