Glycoside
GD008029
Name:
NoneFormula:
C35H56O8N14Smiles:
C[N+](C)(CCCC(=O)NCCCNC(=O)CCC[N+](C)(C)C[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1O)C[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
C[N+](C)(C)CCCC(=O)NCCCNC(=O)CCC[N+](C)(C)C.Nc1ncnc2c1N=C[N]2.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.66 |
| AlogP: | -2.6 | Num_rotatable_bonds: | 18 |
| MolWt: | 800.92 | Num_heavy_atoms: | 57 |
| TPSA: | 296.82 | 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 |
AD06463
Formula: C17H38O2N4
Smiles:
C[N+](C)(C)CCCC(=O)NCCCNC(=O)CCC[N+](C)(C)C| HBA: | 6 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.88 |
| AlogP: | 0.58 | Num_rotatable_bonds: | 12 |
| MolWt: | 330.52 | Num_heavy_atoms: | 23 |
| TPSA: | 58.2 | NumAromaticRings: | 0 |
