Glycoside
GD120638
Name:
methyl 4'-[1-({3-[4-(acetyloxy)phenyl]prop-2-enoyl}oxy)ethyl]-5'-oxo-1-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}-4a,7a-dihydro-1H,5'H-spiro[cyclopenta[c]pyran-7,2'-furan]-4-carboxylateFormula:
C40H42O19Smiles:
COC(=O)C1=COC(OC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C2C1C=CC21C=C(C(C)OC(=O)C=Cc2ccc(OC(C)=O)cc2)C(=O)O1Aglycone:
COC(=O)C1=COC(O)C2C1C=CC21C=C(C(C)OC(=O)C=Cc2ccc(OC(C)=O)cc2)C(=O)O1.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.45 |
| AlogP: | 2.09 | Num_rotatable_bonds: | 13 |
| MolWt: | 826.76 | Num_heavy_atoms: | 59 |
| TPSA: | 238.09 | NumAromaticRings: | 1 |
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 |
AD48490
Formula: C26H24O10
Smiles:
COC(=O)C1=COC(O)C2C1C=CC21C=C(C(C)OC(=O)C=Cc2ccc(OC(C)=O)cc2)C(=O)O1| HBA: | 10 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.31 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 6 |
| MolWt: | 496.47 | Num_heavy_atoms: | 36 |
| TPSA: | 134.66 | NumAromaticRings: | 1 |
