Glycoside
GD015349
Name:
(5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3-methylbutanoyl)oxy]oxan-2-yl]oxy}-3-hydroxy-4-[(3-methylbutanoyl)oxy]-5-{[(3-methylbutanoyl)oxy]methyl}oxolan-2-yl)methyl 3-methylbutanoateFormula:
C32H54O15Smiles:
CC(C)CC(=O)OC[C@@H]1O[C@@](COC(=O)CC(C)C)(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2OC(=O)CC(C)C)[C@H](OC(=O)CC(C)C)[C@H]1OAglycone:
CC(C)CC(=O)O.CC(C)CC(=O)O.COC(=O)CC(C)C.COC(=O)CC(C)CSugarmoiety:
OCC1OC(CO)(OC2OC(O)C(O)C(CO)O2)OC1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.88 |
| AlogP: | 0.99 | Num_rotatable_bonds: | 17 |
| MolWt: | 678.77 | Num_heavy_atoms: | 47 |
| TPSA: | 213.81 | 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 |
AD01663
Formula: C6H12O2
Smiles:
COC(=O)CC(C)C| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.83 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 2 |
| MolWt: | 116.16 | Num_heavy_atoms: | 8 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
