Glycoside
GD012442
Name:
NoneFormula:
C23H26O7N8Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COCNC(=O)CCC(=O)Nc2cccc3c2CNC3=O)[C@H](O)[C@H]1OAglycone:
COCNC(=O)CCC(=O)Nc1cccc2c1CNC2=O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.39 |
| AlogP: | -1.22 | Num_rotatable_bonds: | 9 |
| MolWt: | 526.51 | Num_heavy_atoms: | 38 |
| TPSA: | 215.84 | 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 |
AD09380
Formula: C14H17O4N3
Smiles:
COCNC(=O)CCC(=O)Nc1cccc2c1CNC2=O| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.36 |
| AlogP: | 0.37 | Num_rotatable_bonds: | 6 |
| MolWt: | 291.31 | Num_heavy_atoms: | 21 |
| TPSA: | 96.53 | NumAromaticRings: | 1 |
