Glycoside
GD004235
Name:
NoneFormula:
C20H24O8N6SSmiles:
Nc1nccc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)[C@H](N)Cc2ccc(O)cc2)[C@H](O)[C@H]1OAglycone:
COS(=O)(=O)NC(=O)C(N)Cc1ccc(O)cc1.Nc1nccc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.35 |
| AlogP: | -1.71 | Num_rotatable_bonds: | 8 |
| MolWt: | 508.51 | Num_heavy_atoms: | 35 |
| TPSA: | 225.14 | NumAromaticRings: | 3 |
Unique Aglycone
AD01566
Formula: C6H5N4
Smiles:
Nc1nccc2c1N=C[N]2| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.57 | Num_rotatable_bonds: | 0 |
| MolWt: | 133.13 | Num_heavy_atoms: | 10 |
| TPSA: | 65.37 | NumAromaticRings: | 1 |
AD03727
Formula: C10H14O5N2S
Smiles:
COS(=O)(=O)NC(=O)C(N)Cc1ccc(O)cc1| HBA: | 7 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | -0.73 | Num_rotatable_bonds: | 5 |
| MolWt: | 274.3 | Num_heavy_atoms: | 18 |
| TPSA: | 118.72 | NumAromaticRings: | 1 |
