Glycoside
GD129624
Name:
[3,4,5-tris(acetyloxy)-6-{[5-(acetyloxy)-7-hydroxy-7-methyl-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-1-yl]oxy}oxan-2-yl]methyl acetateFormula:
C25H34O14Smiles:
CC(=O)OCC1OC(OC2OC=CC3C(OC(C)=O)CC(C)(O)C23)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
CC(=O)OC1CC(C)(O)C2C(O)OC=CC12.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.72 |
| AlogP: | 0.27 | Num_rotatable_bonds: | 8 |
| MolWt: | 558.53 | Num_heavy_atoms: | 39 |
| TPSA: | 179.42 | 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 |
AD52507
Formula: C11H16O5
Smiles:
CC(=O)OC1CC(C)(O)C2C(O)OC=CC12| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.73 |
| AlogP: | 0.17 | Num_rotatable_bonds: | 1 |
| MolWt: | 228.24 | Num_heavy_atoms: | 16 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
