Glycoside
GD029353
Name:
NoneFormula:
C31H39O7N11Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN(CCCc2ccccc2)CCO[C@@H]2[C@H](O)[C@H](CO)O[C@H]2n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CN(CCO)CCCc1ccccc1.Nc1ncnc2c1N=C[N]2.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1O.OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.48 |
| AlogP: | -0.98 | Num_rotatable_bonds: | 13 |
| MolWt: | 677.72 | Num_heavy_atoms: | 49 |
| TPSA: | 251.09 | NumAromaticRings: | 5 |
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 |
AD19097
Formula: C12H19ON
Smiles:
CN(CCO)CCCc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 1.54 | Num_rotatable_bonds: | 6 |
| MolWt: | 193.29 | Num_heavy_atoms: | 14 |
| TPSA: | 23.47 | NumAromaticRings: | 1 |
