Glycoside
GD083885
Name:
NoneFormula:
C18H21O5N7Smiles:
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(=O)n(C)c4)ncnc32)[C@H](O)[C@@H]1OAglycone:
CCNC=O.Cn1cc(Nc2ncnc3c2N=C[N]3)ccc1=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.39 |
| AlogP: | -0.98 | Num_rotatable_bonds: | 5 |
| MolWt: | 415.41 | Num_heavy_atoms: | 30 |
| TPSA: | 156.42 | 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 |
AD37400
Formula: C11H9ON6
Smiles:
Cn1cc(Nc2ncnc3c2N=C[N]3)ccc1=O| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.09 |
| AlogP: | 0.83 | Num_rotatable_bonds: | 2 |
| MolWt: | 241.23 | Num_heavy_atoms: | 18 |
| TPSA: | 86.27 | NumAromaticRings: | 2 |
