Glycoside
GD037511
Name:
NoneFormula:
C27H37O5N7Smiles:
CC(=O)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@@H]1O[C@H](n2ccc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CC(=O)N(C)CCCNC(=O)Nc1ccc(C(C)(C)C)cc1.Nc1ncnc2c1C=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 8 |
| MolWt: | 539.64 | Num_heavy_atoms: | 39 |
| TPSA: | 167.86 | NumAromaticRings: | 3 |
Unique Aglycone
AD00138
Formula: C6H5N4
Smiles:
Nc1ncnc2c1C=C[N]2| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 0 |
| MolWt: | 133.13 | Num_heavy_atoms: | 10 |
| TPSA: | 65.9 | NumAromaticRings: | 1 |
AD23622
Formula: C17H27O2N3
Smiles:
CC(=O)N(C)CCCNC(=O)Nc1ccc(C(C)(C)C)cc1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.53 |
| AlogP: | 2.97 | Num_rotatable_bonds: | 5 |
| MolWt: | 305.42 | Num_heavy_atoms: | 22 |
| TPSA: | 61.44 | NumAromaticRings: | 1 |
