Glycoside
GD126534
Name:
6-(acetyloxy)-7-methyl-1-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylic acidFormula:
C26H34O15Smiles:
CC(=O)OCC1OC(OC2OC=C(C(=O)O)C3CC(OC(C)=O)C(C)C23)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
CC(=O)OC1CC2C(C(=O)O)=COC(O)C2C1C.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.69 |
| AlogP: | 0.61 | Num_rotatable_bonds: | 9 |
| MolWt: | 586.54 | Num_heavy_atoms: | 41 |
| TPSA: | 196.49 | 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 |
AD51209
Formula: C12H16O6
Smiles:
CC(=O)OC1CC2C(C(=O)O)=COC(O)C2C1C| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 0.51 | Num_rotatable_bonds: | 2 |
| MolWt: | 256.25 | Num_heavy_atoms: | 18 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
