Glycoside
GD125520
Name:
[5-(acetyloxy)-1,4a-bis({[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy})-1H,4aH,5H,7aH-cyclopenta[c]pyran-7-yl]methyl acetateFormula:
C41H52O25Smiles:
CC(=O)OCC1=CC(OC(C)=O)C2(OC3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)C=COC(OC3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)C12Aglycone:
CC(=O)OCC1=CC(OC(C)=O)C2(O)C=COC(O)C12.COC(C)=O.COC(C)=OSugarmoiety:
CC(=O)OC1OC(O)OC(O)C1OC(C)=O.CC(=O)OCC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.66 |
| AlogP: | -0.15 | Num_rotatable_bonds: | 17 |
| MolWt: | 944.84 | Num_heavy_atoms: | 66 |
| TPSA: | 309.15 | 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 |
AD50764
Formula: C13H16O7
Smiles:
CC(=O)OCC1=CC(OC(C)=O)C2(O)C=COC(O)C12| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.54 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 3 |
| MolWt: | 284.26 | Num_heavy_atoms: | 20 |
| TPSA: | 102.29 | NumAromaticRings: | 0 |
