Glycoside
GD101399
Name:
NoneFormula:
C22H25O5N7Smiles:
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(C(=O)NC5CC5)cc4)ncnc32)[C@H](O)[C@@H]1OAglycone:
CCNC=O.O=C(NC1CC1)c1ccc(Nc2ncnc3c2N=C[N]3)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | 0.22 | Num_rotatable_bonds: | 7 |
| MolWt: | 467.49 | Num_heavy_atoms: | 34 |
| TPSA: | 163.52 | 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 |
AD42923
Formula: C15H13ON6
Smiles:
O=C(NC1CC1)c1ccc(Nc2ncnc3c2N=C[N]3)cc1| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 2.02 | Num_rotatable_bonds: | 4 |
| MolWt: | 293.31 | Num_heavy_atoms: | 22 |
| TPSA: | 93.37 | NumAromaticRings: | 2 |
