Glycoside
GD008594
Name:
NoneFormula:
C22H24O5N6Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COC(=O)CCCc2c[nH]c3ccccc23)[C@H](O)[C@H]1OAglycone:
COC(=O)CCCc1c[nH]c2ccccc12.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.36 |
| AlogP: | 1.08 | Num_rotatable_bonds: | 7 |
| MolWt: | 452.47 | Num_heavy_atoms: | 33 |
| TPSA: | 161.4 | NumAromaticRings: | 4 |
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 |
AD06840
Formula: C13H15O2N
Smiles:
COC(=O)CCCc1c[nH]c2ccccc12| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.31 |
| AlogP: | 2.66 | Num_rotatable_bonds: | 4 |
| MolWt: | 217.27 | Num_heavy_atoms: | 16 |
| TPSA: | 42.09 | NumAromaticRings: | 2 |
