Glycoside
GD019367
Name:
NoneFormula:
C32H36O7N8Smiles:
NC(=O)[C@H](Cc1ccc(C(=O)c2ccccc2)cc1)NC(=O)CCCCCNC(=O)[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
NC(=O)C(Cc1ccc(C(=O)c2ccccc2)cc1)NC(=O)CCCCCNC=O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.34 |
| AlogP: | 0.15 | Num_rotatable_bonds: | 14 |
| MolWt: | 644.69 | Num_heavy_atoms: | 47 |
| TPSA: | 237.67 | 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 |
AD13529
Formula: C23H27O4N3
Smiles:
NC(=O)C(Cc1ccc(C(=O)c2ccccc2)cc1)NC(=O)CCCCCNC=O| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | 1.74 | Num_rotatable_bonds: | 13 |
| MolWt: | 409.49 | Num_heavy_atoms: | 30 |
| TPSA: | 118.36 | NumAromaticRings: | 2 |
