Glycoside
GD092028
Name:
NoneFormula:
C21H33O5N6Smiles:
OC[C@H]1O[C@@H](n2cnc3c(NC4CC[NH+]([C@H]5CCCC[C@H]5O)CC4)ncnc32)[C@H](O)[C@@H]1OAglycone:
OC1CCCCC1[NH+]1CCC(Nc2ncnc3c2N=C[N]3)CC1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.76 |
| AlogP: | -1.8 | Num_rotatable_bonds: | 5 |
| MolWt: | 449.53 | Num_heavy_atoms: | 32 |
| TPSA: | 150.22 | NumAromaticRings: | 2 |
Unique Aglycone
AD40167
Formula: C16H24ON6
Smiles:
OC1CCCCC1[NH+]1CCC(Nc2ncnc3c2N=C[N]3)CC1| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.69 |
| AlogP: | 0.15 | Num_rotatable_bonds: | 3 |
| MolWt: | 316.41 | Num_heavy_atoms: | 23 |
| TPSA: | 88.94 | NumAromaticRings: | 1 |
