Glycoside
GD012148
Name:
NoneFormula:
C20H24O5N6Smiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(NCc4cccc(OC)c4)ncnc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.COc1cccc(CNc2ncnc3c2N=C[N]3)c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | 0.2 | Num_rotatable_bonds: | 7 |
| MolWt: | 428.45 | Num_heavy_atoms: | 31 |
| TPSA: | 143.65 | 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 |
AD09178
Formula: C13H12ON5
Smiles:
COc1cccc(CNc2ncnc3c2N=C[N]3)c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.15 |
| AlogP: | 2.01 | Num_rotatable_bonds: | 4 |
| MolWt: | 254.27 | Num_heavy_atoms: | 19 |
| TPSA: | 73.5 | NumAromaticRings: | 2 |
