Glycoside
GD132232
Name:
[3,4,5-tris(acetyloxy)-6-{[6-(acetyloxy)-4-formyl-4a,7-dihydroxy-7-methyl-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-1-yl]oxy}oxan-2-yl]methyl acetateFormula:
C26H34O16Smiles:
CC(=O)OCC1OC(OC2OC=C(C=O)C3(O)CC(OC(C)=O)C(C)(O)C23)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
CC(=O)OC1CC2(O)C(C=O)=COC(O)C2C1(C)O.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.69 |
| AlogP: | -1.04 | Num_rotatable_bonds: | 9 |
| MolWt: | 602.54 | Num_heavy_atoms: | 42 |
| TPSA: | 216.72 | 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 |
AD53527
Formula: C12H16O7
Smiles:
CC(=O)OC1CC2(O)C(C=O)=COC(O)C2C1(C)O| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.67 |
| AlogP: | -1.15 | Num_rotatable_bonds: | 2 |
| MolWt: | 272.25 | Num_heavy_atoms: | 19 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
