Glycoside
GD080506
Name:
NoneFormula:
C15H22O7N4SSmiles:
CCOCCS(=O)(=O)Nc1ncnc2c1ccn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
CCOCCS(=O)(=O)Nc1ncnc2c1C=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.6 |
| AlogP: | -1.18 | Num_rotatable_bonds: | 8 |
| MolWt: | 402.43 | Num_heavy_atoms: | 27 |
| TPSA: | 156.03 | NumAromaticRings: | 2 |
Unique Aglycone
AD36442
Formula: C10H13O3N4S
Smiles:
CCOCCS(=O)(=O)Nc1ncnc2c1C=C[N]2| HBA: | 7 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 0.47 | Num_rotatable_bonds: | 6 |
| MolWt: | 269.31 | Num_heavy_atoms: | 18 |
| TPSA: | 95.28 | NumAromaticRings: | 1 |
