Glycoside
GD021765
Name:
NoneFormula:
C20H22O4N10Smiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(NC)nc(-n4cc(-c5ccccn5)nn4)nc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.CNc1nc(-n2cc(-c3ccccn3)nn2)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | -0.73 | Num_rotatable_bonds: | 6 |
| MolWt: | 466.46 | Num_heavy_atoms: | 34 |
| TPSA: | 178.02 | 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 |
AD02954
Formula: C13H10N9
Smiles:
CNc1nc(-n2cc(-c3ccccn3)nn2)nc2c1N=C[N]2| HBA: | 9 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 1.07 | Num_rotatable_bonds: | 3 |
| MolWt: | 292.29 | Num_heavy_atoms: | 22 |
| TPSA: | 107.87 | NumAromaticRings: | 3 |
