Glycoside
GD014549
Name:
Albinoside_ViiFormula:
C45H76O21Smiles:
CCC[C@@H]1CCCCCCCCCC(=O)O[C@@H]2[C@H](O[C@@H]3[C@H](O[C@@H]4O[C@H](C)[C@H](OC(C)=O)[C@H](O)[C@H]4O)[C@H](O[C@H](C)[C@H]3O)O[C@H]3[C@@H](O[C@@H](C)[C@@H](O)[C@H]3O)O1)O[C@H](C)[C@H](O)[C@H]2OC(=O)[C@H](C)[C@H](C)OAglycone:
CCCC1CCCCCCCCCC(=O)OC2C(OC(C)C(O)C2OC(=O)C(C)C(C)O)OC2C(O)C(C)OC(OC3C(O1)OC(C)C(O)C3O)C2OSugarmoiety:
CC(=O)OC1C(C)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.93 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 8 |
| MolWt: | 953.08 | Num_heavy_atoms: | 66 |
| TPSA: | 294.35 | NumAromaticRings: | 0 |
Unique Aglycone
AD10683
Formula: C37H64O16
Smiles:
CCCC1CCCCCCCCCC(=O)OC2C(OC(C)C(O)C2OC(=O)C(C)C(C)O)OC2C(O)C(C)OC(OC3C(O1)OC(C)C(O)C3O)C2O| HBA: | 16 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.95 |
| AlogP: | 1.35 | Num_rotatable_bonds: | 5 |
| MolWt: | 764.9 | Num_heavy_atoms: | 53 |
| TPSA: | 229.36 | NumAromaticRings: | 0 |
