Glycoside
GD115548
Name:
4-(2-{[1-carbamoyl-2-(thiophen-2-yl)ethyl]carbamoyl}-4-(thiophene-2-sulfonamido)piperidin-1-yl)-2,3-dihydroxy-4-oxobutanoic acidFormula:
C21H26O9N4S3Smiles:
N=C(O)C(Cc1cccs1)N=C(O)C1CC(NS(=O)(=O)c2cccs2)CCN1C(=O)C(O)C(O)C(=O)OAglycone:
N=C(O)C(Cc1cccs1)N=C(O)C1CC(NS(=O)(=O)c2cccs2)CCN1Sugarmoiety:
O=C(O)C(O)C(O)C(=O)OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.43 |
| AlogP: | 0.36 | Num_rotatable_bonds: | 11 |
| MolWt: | 574.66 | Num_heavy_atoms: | 37 |
| TPSA: | 220.91 | NumAromaticRings: | 2 |
Unique Aglycone
AD45729
Formula: C17H22O4N4S3
Smiles:
N=C(O)C(Cc1cccs1)N=C(O)C1CC(NS(=O)(=O)c2cccs2)CCN1| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | 2.31 | Num_rotatable_bonds: | 8 |
| MolWt: | 442.59 | Num_heavy_atoms: | 28 |
| TPSA: | 134.87 | NumAromaticRings: | 2 |
