Glycoside
GD103428
Name:
NoneFormula:
C22H30O4N7SSmiles:
CSC[C@H]1O[C@@H](n2cnc3c(Nc4ccc(C(=O)NCC[NH+](C)C)cc4)ncnc32)[C@H](O)[C@@H]1OAglycone:
C[NH+](C)CCNC(=O)c1ccc(Nc2ncnc3c2N=C[N]3)cc1Sugarmoiety:
CSCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | -0.57 | Num_rotatable_bonds: | 9 |
| MolWt: | 488.59 | Num_heavy_atoms: | 34 |
| TPSA: | 138.86 | NumAromaticRings: | 3 |
Unique Aglycone
AD43785
Formula: C16H19ON7
Smiles:
C[NH+](C)CCNC(=O)c1ccc(Nc2ncnc3c2N=C[N]3)cc1| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 0.0 | Num_rotatable_bonds: | 6 |
| MolWt: | 325.38 | Num_heavy_atoms: | 24 |
| TPSA: | 97.81 | NumAromaticRings: | 2 |
