Glycoside
GD119709
Name:
methyl 5,12-bis(acetyloxy)-11-oxo-4-[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]-2,13-dioxatetracyclo[10.3.1.0¹,â¹.0³,â¸]hexadeca-3,5,7,9-tetraene-14-carboxylateFormula:
C34H36O18Smiles:
COC(=O)C1CC23CC(OC(C)=O)(O1)C(=O)C=C2c1ccc(OC(C)=O)c(C2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c1O3Aglycone:
COC(=O)C1CC23CC(OC(C)=O)(O1)C(=O)C=C2c1ccc(OC(C)=O)cc1O3.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.53 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 9 |
| MolWt: | 732.64 | Num_heavy_atoms: | 52 |
| TPSA: | 228.86 | 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 |
AD48014
Formula: C20H18O9
Smiles:
COC(=O)C1CC23CC(OC(C)=O)(O1)C(=O)C=C2c1ccc(OC(C)=O)cc1O3| HBA: | 9 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.4 |
| AlogP: | 1.32 | Num_rotatable_bonds: | 3 |
| MolWt: | 402.36 | Num_heavy_atoms: | 29 |
| TPSA: | 114.43 | NumAromaticRings: | 1 |
