Glycoside
GD103799
Name:
NoneFormula:
C21H23O7N5SSmiles:
C=C(C)C(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)c2ccc(C)cc2)[C@@H](O)[C@H]1OAglycone:
C=C(C)C(=O)Nc1ncnc2c1N=C[N]2.COS(=O)(=O)c1ccc(C)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 0.67 | Num_rotatable_bonds: | 7 |
| MolWt: | 489.51 | Num_heavy_atoms: | 34 |
| TPSA: | 165.76 | NumAromaticRings: | 3 |
Unique Aglycone
AD01798
Formula: C8H10O3S
Smiles:
COS(=O)(=O)c1ccc(C)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 2 |
| MolWt: | 186.23 | Num_heavy_atoms: | 12 |
| TPSA: | 43.37 | NumAromaticRings: | 1 |
AD08482
Formula: C9H8ON5
Smiles:
C=C(C)C(=O)Nc1ncnc2c1N=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.11 |
| AlogP: | 0.9 | Num_rotatable_bonds: | 2 |
| MolWt: | 202.2 | Num_heavy_atoms: | 15 |
| TPSA: | 81.34 | NumAromaticRings: | 1 |
