Glycoside
GD155042
Name:
methyl 7'-({6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-4-(1-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}ethyl)-5-oxo-3'a,6',7',7'a-tetrahydro-5H-spiro[furan-2,1'-indene]-4'-carboxylateFormula:
C33H36O14Smiles:
COC(=O)C1=CCC(OC2OC(COC(C)=O)C(O)C(O)C2O)C2C1C=CC21C=C(C(C)OC(=O)C=Cc2ccc(O)cc2)C(=O)O1Aglycone:
COC(=O)C1=CCC(O)C2C1C=CC21C=C(C(C)OC(=O)C=Cc2ccc(O)cc2)C(=O)O1.COC(C)=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 9 |
| MolWt: | 656.64 | Num_heavy_atoms: | 47 |
| TPSA: | 204.58 | 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 |
AD59468
Formula: C25H24O8
Smiles:
COC(=O)C1=CCC(O)C2C1C=CC21C=C(C(C)OC(=O)C=Cc2ccc(O)cc2)C(=O)O1| HBA: | 8 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.32 |
| AlogP: | 2.23 | Num_rotatable_bonds: | 5 |
| MolWt: | 452.46 | Num_heavy_atoms: | 33 |
| TPSA: | 119.36 | NumAromaticRings: | 1 |
