Glycoside
GD033664
Name:
NoneFormula:
C55H76O6N6Smiles:
C=CCCCCCCCCCn1cc(COC[C@@H]2O[C@H](OCc3cn(CCCCCCCCCC=C)nn3)[C@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)nn1Aglycone:
C=CCCCCCCCCCn1cc(CO)nn1.C=CCCCCCCCCCn1cc(COC)nn1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
OCC1OOC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 0 | FractionCSP3: | 0.53 |
| AlogP: | 11.7 | Num_rotatable_bonds: | 36 |
| MolWt: | 917.25 | Num_heavy_atoms: | 67 |
| 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 |
AD21469
Formula: C14H25ON3
Smiles:
C=CCCCCCCCCCn1cc(CO)nn1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.71 |
| AlogP: | 3.08 | Num_rotatable_bonds: | 11 |
| MolWt: | 251.37 | Num_heavy_atoms: | 18 |
| TPSA: | 50.94 | NumAromaticRings: | 1 |
AD21470
Formula: C15H27ON3
Smiles:
C=CCCCCCCCCCn1cc(COC)nn1| HBA: | 4 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.73 |
| AlogP: | 3.73 | Num_rotatable_bonds: | 12 |
| MolWt: | 265.4 | Num_heavy_atoms: | 19 |
| TPSA: | 39.94 | NumAromaticRings: | 1 |
