Glycoside
GD032364
Name:
NoneFormula:
C27H37O9N11Smiles:
COC(=O)CCCN(CCO[C@@H]1[C@H](O)[C@H](CO)O[C@H]1n1cnc2c(N)ncnc21)C[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
COC(=O)CCCN(C)CCO.Nc1ncnc2c1N=C[N]2.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OOC(O)C1O.OCOC1C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.59 |
| AlogP: | -2.66 | Num_rotatable_bonds: | 13 |
| MolWt: | 659.66 | Num_heavy_atoms: | 47 |
| TPSA: | 277.39 | 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 |
AD20764
Formula: C8H17O3N
Smiles:
COC(=O)CCCN(C)CCO| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.88 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 6 |
| MolWt: | 175.23 | Num_heavy_atoms: | 12 |
| TPSA: | 49.77 | NumAromaticRings: | 0 |
