Glycoside
GD095280
Name:
NoneFormula:
C18H26O8N2S2Smiles:
O=C(CN1CCS(=O)(=O)CC1)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)cc1Aglycone:
O=C(CN1CCS(=O)(=O)CC1)Nc1ccc(S)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.61 |
| AlogP: | -1.75 | Num_rotatable_bonds: | 6 |
| MolWt: | 462.55 | Num_heavy_atoms: | 30 |
| TPSA: | 156.63 | NumAromaticRings: | 1 |
Unique Aglycone
AD40660
Formula: C12H16O3N2S2
Smiles:
O=C(CN1CCS(=O)(=O)CC1)Nc1ccc(S)cc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.42 |
| AlogP: | 0.64 | Num_rotatable_bonds: | 3 |
| MolWt: | 300.4 | Num_heavy_atoms: | 19 |
| TPSA: | 66.48 | NumAromaticRings: | 1 |
