Glycoside
GD153703
Name:
2,6,14,17-tetramethyl-3,11,15-trioxo-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-10-oxatetracyclo[7.7.1.0²,â·.0¹³,¹â·]heptadecan-16-yl acetateFormula:
C28H40O12Smiles:
CC(=O)OC1C(=O)C(C)C2CC(=O)OC3CC4C(C)CC(OC5OC(CO)C(O)C(O)C5O)C(=O)C4(C)C1C32CAglycone:
CC(=O)OC1C(=O)C(C)C2CC(=O)OC3CC4C(C)CC(O)C(=O)C4(C)C1C32CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | -0.49 | Num_rotatable_bonds: | 4 |
| MolWt: | 568.62 | Num_heavy_atoms: | 40 |
| TPSA: | 186.12 | NumAromaticRings: | 0 |
Unique Aglycone
AD61099
Formula: C22H30O7
Smiles:
CC(=O)OC1C(=O)C(C)C2CC(=O)OC3CC4C(C)CC(O)C(=O)C4(C)C1C32C| HBA: | 7 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.82 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 1 |
| MolWt: | 406.48 | Num_heavy_atoms: | 29 |
| TPSA: | 106.97 | NumAromaticRings: | 0 |
