Glycoside
GD031731
Name:
NoneFormula:
C69H108O6N6Smiles:
CCCCCCCCCCCCCCCCCCn1cc(COC[C@@H]2O[C@H](OCc3cn(CCCCCCCCCCCCCCCCCC)nn3)[C@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)nn1Aglycone:
CCCCCCCCCCCCCCCCCCn1cc(CO)nn1.CCCCCCCCCCCCCCCCCCn1cc(COC)nn1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
OCC1OOC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 0 | FractionCSP3: | 0.68 |
| AlogP: | 17.61 | Num_rotatable_bonds: | 50 |
| MolWt: | 1117.66 | Num_heavy_atoms: | 81 |
| TPSA: | 116.8 | NumAromaticRings: | 5 |
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 |
AD20425
Formula: C21H41ON3
Smiles:
CCCCCCCCCCCCCCCCCCn1cc(CO)nn1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.9 |
| AlogP: | 6.03 | Num_rotatable_bonds: | 18 |
| MolWt: | 351.58 | Num_heavy_atoms: | 25 |
| TPSA: | 50.94 | NumAromaticRings: | 1 |
AD20426
Formula: C22H43ON3
Smiles:
CCCCCCCCCCCCCCCCCCn1cc(COC)nn1| HBA: | 4 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.91 |
| AlogP: | 6.69 | Num_rotatable_bonds: | 19 |
| MolWt: | 365.61 | Num_heavy_atoms: | 26 |
| TPSA: | 39.94 | NumAromaticRings: | 1 |
