Glycoside
GD137611
Name:
methyl 7-oxo-1-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}-1H,4aH,7H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C24H28O14Smiles:
COC(=O)C1=COC(OC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C2C(=O)C=CC12Aglycone:
COC(=O)C1=COC(O)C2C(=O)C=CC12.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.58 |
| AlogP: | -0.13 | Num_rotatable_bonds: | 8 |
| MolWt: | 540.47 | Num_heavy_atoms: | 38 |
| TPSA: | 176.26 | 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 |
AD51619
Formula: C10H10O5
Smiles:
COC(=O)C1=COC(O)C2C(=O)C=CC12| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | -0.24 | Num_rotatable_bonds: | 1 |
| MolWt: | 210.19 | Num_heavy_atoms: | 15 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
