Glycoside
GD100412
Name:
NoneFormula:
C23H30O4N7SSmiles:
CSC[C@H]1O[C@@H](n2cnc3c(Nc4ccc(C(=O)N5CC[NH+](C)CC5)cc4)ncnc32)[C@H](O)[C@@H]1OAglycone:
C[NH+]1CCN(C(=O)c2ccc(Nc3ncnc4c3N=C[N]4)cc2)CC1Sugarmoiety:
CSCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.48 |
| AlogP: | -0.48 | Num_rotatable_bonds: | 6 |
| MolWt: | 500.61 | Num_heavy_atoms: | 35 |
| TPSA: | 130.07 | NumAromaticRings: | 3 |
Unique Aglycone
AD42436
Formula: C17H19ON7
Smiles:
C[NH+]1CCN(C(=O)c2ccc(Nc3ncnc4c3N=C[N]4)cc2)CC1| HBA: | 8 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | 0.1 | Num_rotatable_bonds: | 3 |
| MolWt: | 337.39 | Num_heavy_atoms: | 25 |
| TPSA: | 89.02 | NumAromaticRings: | 2 |
