Glycoside
GD095529
Name:
NoneFormula:
C19H28O6N5SSmiles:
CC(C)n1nc(CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)c2nccs2)c2c1C[NH2+]CC2Aglycone:
CC(C)n1nc(CNc2nccs2)c2c1C[NH2+]CC2Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.58 |
| AlogP: | -2.28 | Num_rotatable_bonds: | 9 |
| MolWt: | 454.53 | Num_heavy_atoms: | 31 |
| TPSA: | 165.62 | NumAromaticRings: | 2 |
Unique Aglycone
AD40760
Formula: C13H20N5S
Smiles:
CC(C)n1nc(CNc2nccs2)c2c1C[NH2+]CC2| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.54 |
| AlogP: | 1.15 | Num_rotatable_bonds: | 4 |
| MolWt: | 278.41 | Num_heavy_atoms: | 19 |
| TPSA: | 59.35 | NumAromaticRings: | 2 |
