Glycoside
GD036392
Name:
NoneFormula:
C25H31O9N5SSmiles:
N[C@H](Cc1ccc(O)cc1)C(=O)NS(=O)(=O)OC[C@@H]1OC[C@H](OCCn2cc(-c3ccccc3)nn2)[C@H](O)[C@H]1OAglycone:
COS(=O)(=O)NC(=O)C(N)Cc1ccc(O)cc1.OCCn1cc(-c2ccccc2)nn1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.4 |
| AlogP: | -0.9 | Num_rotatable_bonds: | 12 |
| MolWt: | 577.62 | Num_heavy_atoms: | 40 |
| TPSA: | 208.35 | NumAromaticRings: | 3 |
Unique Aglycone
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 |
AD17047
Formula: C10H11ON3
Smiles:
OCCn1cc(-c2ccccc2)nn1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 3 |
| MolWt: | 189.22 | Num_heavy_atoms: | 14 |
| TPSA: | 50.94 | NumAromaticRings: | 2 |
