Glycoside
GD079510
Name:
NoneFormula:
C16H24O6N5SSmiles:
O=S(=O)(Nc1ncnc2c1ccn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C1CC[NH2+]CC1Aglycone:
O=S(=O)(Nc1ncnc2c1C=C[N]2)C1CC[NH2+]CC1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.62 |
| AlogP: | -2.49 | Num_rotatable_bonds: | 5 |
| MolWt: | 414.46 | Num_heavy_atoms: | 28 |
| TPSA: | 163.41 | NumAromaticRings: | 2 |
Unique Aglycone
AD36347
Formula: C11H15O2N5S
Smiles:
O=S(=O)(Nc1ncnc2c1C=C[N]2)C1CC[NH2+]CC1| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.45 |
| AlogP: | -0.84 | Num_rotatable_bonds: | 3 |
| MolWt: | 281.34 | Num_heavy_atoms: | 19 |
| TPSA: | 102.66 | NumAromaticRings: | 1 |
