Glycoside
GD121319
Name:
[3,4,5-tris(acetyloxy)-6-{[5-(furan-3-yl)-3,11-dimethyl-7,17-dioxo-6,14,16-trioxapentacyclo[10.3.2.0²,¹¹.0³,â¸.0¹³,¹âµ]heptadecan-12-yl]oxy}oxan-2-yl]methyl acetateFormula:
C34H40O16Smiles:
CC(=O)OCC1OC(OC23C(=O)OC(C4OC42)C2C4(C)CC(c5ccoc5)OC(=O)C4CCC23C)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
CC12CC(c3ccoc3)OC(=O)C1CCC1(C)C2C2OC(=O)C1(O)C1OC21.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 8 |
| HBD: | 0 | FractionCSP3: | 0.71 |
| AlogP: | 1.85 | Num_rotatable_bonds: | 8 |
| MolWt: | 704.68 | Num_heavy_atoms: | 50 |
| TPSA: | 201.93 | 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 |
AD48828
Formula: C20H22O7
Smiles:
CC12CC(c3ccoc3)OC(=O)C1CCC1(C)C2C2OC(=O)C1(O)C1OC21| HBA: | 7 | RingCount: | 7 |
| HBD: | 1 | FractionCSP3: | 0.7 |
| AlogP: | 1.74 | Num_rotatable_bonds: | 1 |
| MolWt: | 374.39 | Num_heavy_atoms: | 27 |
| TPSA: | 98.5 | NumAromaticRings: | 1 |
