Glycoside
GD034860
Name:
NoneFormula:
C25H36O12N4Smiles:
CC(=O)N[C@H]1[C@H](OCC(=O)N[C@H](CO)C(=O)N[C@H](CCC(=O)O)C(N)=O)[C@@H](O)[C@@H](CO)O[C@H]1OCc1ccccc1Aglycone:
NC(=O)C(CCC(=O)O)NC(=O)C(CO)NC(=O)CO.OCc1ccccc1Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.56 |
| AlogP: | -3.52 | Num_rotatable_bonds: | 16 |
| MolWt: | 584.58 | Num_heavy_atoms: | 41 |
| TPSA: | 256.07 | NumAromaticRings: | 1 |
Unique Aglycone
AD00044
Formula: C7H8O
Smiles:
OCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD22106
Formula: C10H17O7N3
Smiles:
NC(=O)C(CCC(=O)O)NC(=O)C(CO)NC(=O)CO| HBA: | 10 | RingCount: | 0 |
| HBD: | 7 | FractionCSP3: | 0.6 |
| AlogP: | -3.71 | Num_rotatable_bonds: | 9 |
| MolWt: | 291.26 | Num_heavy_atoms: | 20 |
| TPSA: | 179.05 | NumAromaticRings: | 0 |
