Glycoside
GD029400
Name:
NoneFormula:
C59H88O6N6Smiles:
CCCCCCCCCCCCCn1cc(COC[C@@H]2O[C@H](OCc3cn(CCCCCCCCCCCCC)nn3)[C@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)nn1Aglycone:
CCCCCCCCCCCCCn1cc(CO)nn1.CCCCCCCCCCCCCn1cc(COC)nn1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
OCC1OOC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 0 | FractionCSP3: | 0.63 |
| AlogP: | 13.71 | Num_rotatable_bonds: | 40 |
| MolWt: | 977.39 | Num_heavy_atoms: | 71 |
| 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 |
AD19125
Formula: C16H31ON3
Smiles:
CCCCCCCCCCCCCn1cc(CO)nn1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.88 |
| AlogP: | 4.08 | Num_rotatable_bonds: | 13 |
| MolWt: | 281.44 | Num_heavy_atoms: | 20 |
| TPSA: | 50.94 | NumAromaticRings: | 1 |
AD19126
Formula: C17H33ON3
Smiles:
CCCCCCCCCCCCCn1cc(COC)nn1| HBA: | 4 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.88 |
| AlogP: | 4.74 | Num_rotatable_bonds: | 14 |
| MolWt: | 295.47 | Num_heavy_atoms: | 21 |
| TPSA: | 39.94 | NumAromaticRings: | 1 |
