Glycoside
GD101827
Name:
NoneFormula:
C17H21O6N3S3Smiles:
Cc1nnc(SCC(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)s1Aglycone:
Cc1nnc(SCC(=O)Nc2ccc(S)cc2)s1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.47 |
| AlogP: | 0.47 | Num_rotatable_bonds: | 7 |
| MolWt: | 459.57 | Num_heavy_atoms: | 29 |
| TPSA: | 145.03 | NumAromaticRings: | 2 |
Unique Aglycone
AD43116
Formula: C11H11ON3S3
Smiles:
Cc1nnc(SCC(=O)Nc2ccc(S)cc2)s1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 2.87 | Num_rotatable_bonds: | 4 |
| MolWt: | 297.43 | Num_heavy_atoms: | 18 |
| TPSA: | 54.88 | NumAromaticRings: | 2 |
