Glycoside
GD037162
Name:
NoneFormula:
C21H26O5N6Smiles:
CC(C)N(Cc1cccc(C(=O)O)c1)C[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CC(C)N(C)Cc1cccc(C(=O)O)c1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | 0.64 | Num_rotatable_bonds: | 7 |
| MolWt: | 442.48 | Num_heavy_atoms: | 32 |
| TPSA: | 159.85 | 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 |
AD23427
Formula: C12H17O2N
Smiles:
CC(C)N(C)Cc1cccc(C(=O)O)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.42 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 4 |
| MolWt: | 207.27 | Num_heavy_atoms: | 15 |
| TPSA: | 40.54 | NumAromaticRings: | 1 |
