Glycoside
GD020478
Name:
ALBINOSIDE IFormula:
C51H86O26Smiles:
CCC[C@@H]1CCCCCCCCCC(=O)O[C@@H]2[C@H](O[C@H](C)[C@H](OC(=O)[C@H](C)[C@H](C)O)[C@H]2O)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]2OAglycone:
CCCC1CCCCCCCCCC(=O)OC2C(OC(C)C(OC(=O)C(C)C(C)O)C2O)OC2C(OCC3OC(OC4C(O1)OC(C)C(O)C4O)C(O)C(O)C3O)OC(C)C(O)C2OSugarmoiety:
CC(=O)OC1C(C)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 26 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.94 |
| AlogP: | -1.41 | Num_rotatable_bonds: | 8 |
| MolWt: | 1115.22 | Num_heavy_atoms: | 77 |
| TPSA: | 373.5 | NumAromaticRings: | 0 |
Unique Aglycone
AD14135
Formula: C43H74O21
Smiles:
CCCC1CCCCCCCCCC(=O)OC2C(OC(C)C(OC(=O)C(C)C(C)O)C2O)OC2C(OCC3OC(OC4C(O1)OC(C)C(O)C4O)C(O)C(O)C3O)OC(C)C(O)C2O| HBA: | 21 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.95 |
| AlogP: | -0.83 | Num_rotatable_bonds: | 5 |
| MolWt: | 927.04 | Num_heavy_atoms: | 64 |
| TPSA: | 308.51 | NumAromaticRings: | 0 |
