Glycoside
GD122405
Name:
6-(acetyloxy)-7-[(acetyloxy)methyl]-4-({[3,4-bis(acetyloxy)-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-7-hydroxy-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-1-yl 3-methylbutanoateFormula:
C29H42O16Smiles:
CC(=O)OCC1(O)C(OC(C)=O)CC2C(COC3OC(CO)C(O)C(OC(C)=O)C3OC(C)=O)=COC(OC(=O)CC(C)C)C21Aglycone:
CC(=O)OCC1(O)C(OC(C)=O)CC2C(CO)=COC(OC(=O)CC(C)C)C21Sugarmoiety:
CC(=O)OC1C(O)OC(CO)C(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.76 |
| AlogP: | -0.36 | Num_rotatable_bonds: | 12 |
| MolWt: | 646.64 | Num_heavy_atoms: | 45 |
| TPSA: | 219.88 | NumAromaticRings: | 0 |
Unique Aglycone
AD44186
Formula: C19H28O9
Smiles:
CC(=O)OCC1(O)C(OC(C)=O)CC2C(CO)=COC(OC(=O)CC(C)C)C21| HBA: | 9 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.74 |
| AlogP: | 0.67 | Num_rotatable_bonds: | 7 |
| MolWt: | 400.42 | Num_heavy_atoms: | 28 |
| TPSA: | 128.59 | NumAromaticRings: | 0 |
