Glycoside
GD116288
Name:
5-(acetyloxy)-1-{[3,4-bis(acetyloxy)-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4a-hydroxy-7-methyl-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-7-yl acetateFormula:
C23H32O14Smiles:
CC(=O)OC1C(OC2OC=CC3(O)C(OC(C)=O)CC(C)(OC(C)=O)C23)OC(CO)C(O)C1OC(C)=OAglycone:
CC(=O)OC1CC(C)(OC(C)=O)C2C(O)OC=CC12OSugarmoiety:
CC(=O)OC1C(O)OC(CO)C(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.74 |
| AlogP: | -1.18 | Num_rotatable_bonds: | 7 |
| MolWt: | 532.5 | Num_heavy_atoms: | 37 |
| TPSA: | 193.58 | NumAromaticRings: | 0 |
Unique Aglycone
AD45816
Formula: C13H18O7
Smiles:
CC(=O)OC1CC(C)(OC(C)=O)C2C(O)OC=CC12O| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.69 |
| AlogP: | -0.15 | Num_rotatable_bonds: | 2 |
| MolWt: | 286.28 | Num_heavy_atoms: | 20 |
| TPSA: | 102.29 | NumAromaticRings: | 0 |
