Glycoside
GD095131
Name:
NoneFormula:
C18H24O8N4SSmiles:
CCOC(=O)c1cn2nc([C@@H]3CCCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C3)sc2n1Aglycone:
CCOC(=O)c1cn2nc(C3CCCNC3)sc2n1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.61 |
| AlogP: | -1.68 | Num_rotatable_bonds: | 8 |
| MolWt: | 456.48 | Num_heavy_atoms: | 31 |
| TPSA: | 174.79 | NumAromaticRings: | 2 |
Unique Aglycone
AD40624
Formula: C12H16O2N4S
Smiles:
CCOC(=O)c1cn2nc(C3CCCNC3)sc2n1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.58 |
| AlogP: | 1.43 | Num_rotatable_bonds: | 3 |
| MolWt: | 280.35 | Num_heavy_atoms: | 19 |
| TPSA: | 68.52 | NumAromaticRings: | 2 |
