Glycoside
GD029962
Name:
2,5-bis(hydroxymethyl)-5-{[6-(hydroxymethyl)-3,4,5-tris[(3-methylbutanoyl)oxy]oxan-2-yl]oxy}-4-[(3-methylbutanoyl)oxy]oxolan-3-yl 3-methylbutanoateFormula:
C37H62O16Smiles:
CC(C)CC(=O)O[C@@H]1[C@@H](O[C@@]2(CO)O[C@H](CO)[C@H](OC(=O)CC(C)C)[C@H]2OC(=O)CC(C)C)O[C@@H](CO)[C@@H](OC(=O)CC(C)C)[C@H]1OC(=O)CC(C)CAglycone:
CC(C)CC(=O)O.CC(C)CC(=O)O.CC(C)CC(=O)O.CC(C)CC(=O)O.CC(C)CC(=O)OSugarmoiety:
OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 20 |
| MolWt: | 762.89 | Num_heavy_atoms: | 53 |
| TPSA: | 219.88 | NumAromaticRings: | 0 |
Unique Aglycone
AD00281
Formula: C5H10O2
Smiles:
CC(C)CC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 2 |
| MolWt: | 102.13 | Num_heavy_atoms: | 7 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
