Glycoside
GD025771
Name:
NoneFormula:
C22H33O8N5SSmiles:
CCC(C)[C@H](N)C(=O)NS(=O)(=O)OC[C@@H]1OC[C@H](OCCn2cc(-c3ccccc3)nn2)[C@H](O)[C@H]1OAglycone:
CCC(C)C(N)C(=O)NS(=O)(=O)OC.OCCn1cc(-c2ccccc2)nn1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.59 |
| AlogP: | -0.8 | Num_rotatable_bonds: | 12 |
| MolWt: | 527.6 | Num_heavy_atoms: | 36 |
| TPSA: | 188.12 | NumAromaticRings: | 2 |
Unique Aglycone
AD01496
Formula: C7H16O4N2S
Smiles:
CCC(C)C(N)C(=O)NS(=O)(=O)OC| HBA: | 6 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 5 |
| MolWt: | 224.28 | Num_heavy_atoms: | 14 |
| TPSA: | 98.49 | NumAromaticRings: | 0 |
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 |
