Glycoside
GD007083
Name:
NoneFormula:
C12H16O5N4SSmiles:
Nc1ccn([C@@H]2O[C@H](C(=O)N3CCSC3)[C@H](O)[C@H]2O)c(=O)n1Aglycone:
Nc1cc[nH]c(=O)n1.O=CN1CCSC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.58 |
| AlogP: | -2.02 | Num_rotatable_bonds: | 2 |
| MolWt: | 328.35 | Num_heavy_atoms: | 22 |
| TPSA: | 130.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
AD05790
Formula: C4H7ONS
Smiles:
O=CN1CCSC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.75 |
| AlogP: | 0.15 | Num_rotatable_bonds: | 1 |
| MolWt: | 117.17 | Num_heavy_atoms: | 7 |
| TPSA: | 20.31 | NumAromaticRings: | 0 |
