Glycoside
GD132940
Name:
methyl 7-[(acetyloxy)methyl]-1-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C27H34O15Smiles:
COC(=O)C1=COC(OC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C2C(COC(C)=O)=CCC12Aglycone:
COC(=O)C1=COC(O)C2C(COC(C)=O)=CCC12.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.63 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 10 |
| MolWt: | 598.55 | Num_heavy_atoms: | 42 |
| TPSA: | 185.49 | 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 |
AD16621
Formula: C13H16O6
Smiles:
COC(=O)C1=COC(O)C2C(COC(C)=O)=CCC12| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.54 |
| AlogP: | 0.52 | Num_rotatable_bonds: | 3 |
| MolWt: | 268.26 | Num_heavy_atoms: | 19 |
| TPSA: | 82.06 | NumAromaticRings: | 0 |
