Glycoside
GD021816
Name:
NoneFormula:
C20H24O5N6Smiles:
COc1cc(C=CCNC[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)ccc1OAglycone:
CNCC=Cc1ccc(O)c(OC)c1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.35 |
| AlogP: | 0.04 | Num_rotatable_bonds: | 7 |
| MolWt: | 428.45 | Num_heavy_atoms: | 31 |
| TPSA: | 160.8 | NumAromaticRings: | 3 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD00217
Formula: C11H15O2N
Smiles:
CNCC=Cc1ccc(O)c(OC)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.27 |
| AlogP: | 1.63 | Num_rotatable_bonds: | 4 |
| MolWt: | 193.25 | Num_heavy_atoms: | 14 |
| TPSA: | 41.49 | NumAromaticRings: | 1 |
