Glycoside
GD147671
Name:
6-(acetyloxy)-4-({[3-(acetyloxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-7-[(acetyloxy)methyl]-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-1-yl 3-methylbutanoateFormula:
C27H40O14Smiles:
CC(=O)OCC1C(OC(C)=O)CC2C(COC3OC(CO)C(O)C(O)C3OC(C)=O)=COC(OC(=O)CC(C)C)C21Aglycone:
CC(=O)OCC1C(OC(C)=O)CC2C(CO)=COC(OC(=O)CC(C)C)C21Sugarmoiety:
CC(=O)OC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.78 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 11 |
| MolWt: | 588.6 | Num_heavy_atoms: | 41 |
| TPSA: | 193.58 | NumAromaticRings: | 0 |
Unique Aglycone
AD59131
Formula: C19H28O8
Smiles:
CC(=O)OCC1C(OC(C)=O)CC2C(CO)=COC(OC(=O)CC(C)C)C21| HBA: | 8 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.74 |
| AlogP: | 1.56 | Num_rotatable_bonds: | 7 |
| MolWt: | 384.43 | Num_heavy_atoms: | 27 |
| TPSA: | 108.36 | NumAromaticRings: | 0 |
