Glycoside
GD012176
Name:
NoneFormula:
C40H50O10N4Smiles:
CO[C@@H]1O[C@H](Cn2cc(CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)O)nn2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1Aglycone:
CC(OCc1cn(C)nn1)C(NC(=O)OC(C)(C)C)C(=O)O.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
COC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.45 |
| AlogP: | 5.29 | Num_rotatable_bonds: | 18 |
| MolWt: | 746.86 | Num_heavy_atoms: | 54 |
| 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 |
AD09198
Formula: C13H22O5N4
Smiles:
CC(OCc1cn(C)nn1)C(NC(=O)OC(C)(C)C)C(=O)O| HBA: | 9 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.69 |
| AlogP: | 0.7 | Num_rotatable_bonds: | 6 |
| MolWt: | 314.34 | Num_heavy_atoms: | 22 |
| TPSA: | 115.57 | NumAromaticRings: | 1 |
