Glycoside
GD011668
Name:
Albinoside_ViFormula:
C45H76O22Smiles:
CCC[C@@H]1CCCCCCCCCC(=O)O[C@H]2[C@H](OC[C@@H]3O[C@H](O[C@H]4[C@@H](O[C@@H](C)[C@@H](O)[C@H]4O)O1)[C@H](O[C@@H]1O[C@H](C)[C@H](OC(C)=O)[C@H](O)[C@H]1O)[C@H](O)[C@H]3O)O[C@@H](C)[C@@H](O)[C@H]2OC(=O)[C@H](C)[C@H](C)OAglycone:
CCCC1CCCCCCCCCC(=O)OC2C(OCC3OC(OC4C(O1)OC(C)C(O)C4O)C(O)C(O)C3O)OC(C)C(O)C2OC(=O)C(C)C(C)OSugarmoiety:
CC(=O)OC1C(C)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.93 |
| AlogP: | -0.26 | Num_rotatable_bonds: | 8 |
| MolWt: | 969.08 | Num_heavy_atoms: | 67 |
| TPSA: | 314.58 | NumAromaticRings: | 0 |
Unique Aglycone
AD08888
Formula: C37H64O17
Smiles:
CCCC1CCCCCCCCCC(=O)OC2C(OCC3OC(OC4C(O1)OC(C)C(O)C4O)C(O)C(O)C3O)OC(C)C(O)C2OC(=O)C(C)C(C)O| HBA: | 17 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.95 |
| AlogP: | 0.32 | Num_rotatable_bonds: | 5 |
| MolWt: | 780.9 | Num_heavy_atoms: | 54 |
| TPSA: | 249.59 | NumAromaticRings: | 0 |
