Glycoside
GD125941
Name:
6-(acetyloxy)-4-({[3-(acetyloxy)-6-[(acetyloxy)methyl]-4,5-dihydroxyoxan-2-yl]oxy}methyl)-7-[(acetyloxy)methyl]-7-hydroxy-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-1-yl 2-methylbutanoateFormula:
C29H42O16Smiles:
CCC(C)C(=O)OC1OC=C(COC2OC(COC(C)=O)C(O)C(O)C2OC(C)=O)C2CC(OC(C)=O)C(O)(COC(C)=O)C12Aglycone:
CCC(C)C(=O)OC1OC=C(CO)C2CC(OC(C)=O)C(O)(COC(C)=O)C12.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(O)C1OOther 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
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD50938
Formula: C19H28O9
Smiles:
CCC(C)C(=O)OC1OC=C(CO)C2CC(OC(C)=O)C(O)(COC(C)=O)C12| 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 |
