Glycoside
GD029578
Name:
NoneFormula:
C21H23O7N5SSmiles:
O=C(COc1ccc(CNC[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)cc1)Nc1nccs1Aglycone:
CNCc1ccc(OCC(=O)Nc2nccs2)cc1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | -0.58 | Num_rotatable_bonds: | 9 |
| MolWt: | 489.51 | Num_heavy_atoms: | 34 |
| TPSA: | 167.8 | NumAromaticRings: | 3 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD15012
Formula: C13H15O2N3S
Smiles:
CNCc1ccc(OCC(=O)Nc2nccs2)cc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.23 |
| AlogP: | 1.88 | Num_rotatable_bonds: | 6 |
| MolWt: | 277.35 | Num_heavy_atoms: | 19 |
| TPSA: | 63.25 | NumAromaticRings: | 2 |
