Glycoside
GD151752
Name:
6-(acetyloxy)-4-({[3-(acetyloxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-7-hydroxy-7-(hydroxymethyl)-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-1-yl 3-methylbutanoateFormula:
C25H38O14Smiles:
CC(=O)OC1C(OCC2=COC(OC(=O)CC(C)C)C3C2CC(OC(C)=O)C3(O)CO)OC(CO)C(O)C1OAglycone:
CC(=O)OC1CC2C(CO)=COC(OC(=O)CC(C)C)C2C1(O)COSugarmoiety:
CC(=O)OC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.8 |
| AlogP: | -1.51 | Num_rotatable_bonds: | 10 |
| MolWt: | 562.57 | Num_heavy_atoms: | 39 |
| TPSA: | 207.74 | NumAromaticRings: | 0 |
Unique Aglycone
AD54393
Formula: C17H26O8
Smiles:
CC(=O)OC1CC2C(CO)=COC(OC(=O)CC(C)C)C2C1(O)CO| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.76 |
| AlogP: | 0.1 | Num_rotatable_bonds: | 6 |
| MolWt: | 358.39 | Num_heavy_atoms: | 25 |
| TPSA: | 122.52 | NumAromaticRings: | 0 |
