Glycoside
GD027133
Name:
NoneFormula:
C38H54O8N16Smiles:
CN(CC[C@H](N)C(=O)NCc1cccc(CNC(=O)[C@H](N)CCN(C)C[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)c1)C[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CN(C)CCC(N)C(=O)NCc1cccc(CNC(=O)C(N)CCN(C)C)c1.Nc1ncnc2c1N=C[N]2.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 7 |
| HBD: | 14 | FractionCSP3: | 0.53 |
| AlogP: | -3.7 | Num_rotatable_bonds: | 18 |
| MolWt: | 862.95 | Num_heavy_atoms: | 62 |
| TPSA: | 355.34 | 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 |
AD17860
Formula: C20H36O2N6
Smiles:
CN(C)CCC(N)C(=O)NCc1cccc(CNC(=O)C(N)CCN(C)C)c1| HBA: | 8 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.6 |
| AlogP: | -0.52 | Num_rotatable_bonds: | 12 |
| MolWt: | 392.55 | Num_heavy_atoms: | 28 |
| TPSA: | 116.72 | NumAromaticRings: | 1 |
