Glycoside
GD030742
Name:
NoneFormula:
C49H52O6N6Smiles:
c1ccc(CCn2cc(COC[C@@H]3O[C@H](OCc4cn(CCc5ccccc5)nn4)[C@H](OCc4ccccc4)[C@H](OCc4ccccc4)[C@H]3OCc3ccccc3)nn2)cc1Aglycone:
COCc1cn(CCc2ccccc2)nn1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1cn(CCc2ccccc2)nn1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 8 |
| HBD: | 0 | FractionCSP3: | 0.31 |
| AlogP: | 7.57 | Num_rotatable_bonds: | 22 |
| MolWt: | 820.99 | Num_heavy_atoms: | 61 |
| TPSA: | 116.8 | NumAromaticRings: | 7 |
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 |
AD19883
Formula: C12H15ON3
Smiles:
COCc1cn(CCc2ccccc2)nn1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.33 |
| AlogP: | 1.67 | Num_rotatable_bonds: | 5 |
| MolWt: | 217.27 | Num_heavy_atoms: | 16 |
| TPSA: | 39.94 | NumAromaticRings: | 2 |
AD19884
Formula: C11H13ON3
Smiles:
OCc1cn(CCc2ccccc2)nn1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.27 |
| AlogP: | 1.01 | Num_rotatable_bonds: | 4 |
| MolWt: | 203.25 | Num_heavy_atoms: | 15 |
| TPSA: | 50.94 | NumAromaticRings: | 2 |
