Glycoside
GD014283
Name:
NoneFormula:
C39H48O10N4Smiles:
CO[C@@H]1O[C@H](Cn2cc(COC[C@H](NC(=O)OC(C)(C)C)C(=O)O)nn2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1Aglycone:
Cn1cc(COCC(NC(=O)OC(C)(C)C)C(=O)O)nn1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
COC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.44 |
| AlogP: | 4.9 | Num_rotatable_bonds: | 18 |
| MolWt: | 732.83 | Num_heavy_atoms: | 53 |
| TPSA: | 161.72 | NumAromaticRings: | 4 |
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 |
AD10524
Formula: C12H20O5N4
Smiles:
Cn1cc(COCC(NC(=O)OC(C)(C)C)C(=O)O)nn1| HBA: | 9 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 6 |
| MolWt: | 300.31 | Num_heavy_atoms: | 21 |
| TPSA: | 115.57 | NumAromaticRings: | 1 |
