Glycoside
GD101227
Name:
NoneFormula:
C23H29O5N7Smiles:
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4cccc(C(=O)N(CC)CC)c4)ncnc32)[C@H](O)[C@@H]1OAglycone:
CCN(CC)C(=O)c1cccc(Nc2ncnc3c2N=C[N]3)c1.CCNC=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | 0.81 | Num_rotatable_bonds: | 8 |
| MolWt: | 483.53 | Num_heavy_atoms: | 35 |
| TPSA: | 154.73 | 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 |
AD42809
Formula: C16H17ON6
Smiles:
CCN(CC)C(=O)c1cccc(Nc2ncnc3c2N=C[N]3)c1| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 2.61 | Num_rotatable_bonds: | 5 |
| MolWt: | 309.35 | Num_heavy_atoms: | 23 |
| TPSA: | 84.58 | NumAromaticRings: | 2 |
