Glycoside
GD015494
Name:
NoneFormula:
C22H26O5N6Smiles:
Cc1ccc(OC2CCN(C(=O)[C@@H]3O[C@H](n4cnc5c(N)ncnc54)[C@H](O)[C@H]3O)CC2)cc1Aglycone:
Cc1ccc(OC2CCN(C=O)CC2)cc1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | 0.41 | Num_rotatable_bonds: | 4 |
| MolWt: | 454.49 | Num_heavy_atoms: | 33 |
| TPSA: | 148.85 | 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 |
AD11249
Formula: C13H17O2N
Smiles:
Cc1ccc(OC2CCN(C=O)CC2)cc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.46 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 3 |
| MolWt: | 219.28 | Num_heavy_atoms: | 16 |
| TPSA: | 29.54 | NumAromaticRings: | 1 |
