Glycoside
GD007706
Name:
methyl 3-(4-hydroxy-2-methoxy-4-methyloxolan-2-yl)-2-{2,6,14-trimethyl-3-oxo-9-phenyl-8-oxahexacyclo[16.3.1.0¹,¹â¸.0²,¹âµ.0âµ,¹â´.0â¶,¹¹]docosa-11,16-dien-19-yl}propanoateFormula:
C40H52O7Smiles:
COC(=O)[C@H](C[C@]1(OC)C[C@@](C)(O)CO1)[C@@H]1CC[C@@]23C[C@]12C=C[C@@H]1[C@]2(C)CC=C4C[C@H](c5ccccc5)OC[C@@]4(C)[C@H]2CC(=O)[C@]13CAglycone:
COC(=O)C(C)C1CCC23CC12C=CC1C2(C)CC=C4CC(c5ccccc5)OCC4(C)C2CC(=O)C13CSugarmoiety:
COC1(O)CC(C)(O)CO1Other Identifiers
Properties
| HBA: | 7 | RingCount: | 8 |
| HBD: | 1 | FractionCSP3: | 0.7 |
| AlogP: | 6.75 | Num_rotatable_bonds: | 6 |
| MolWt: | 644.85 | Num_heavy_atoms: | 47 |
| TPSA: | 91.29 | NumAromaticRings: | 1 |
Unique Aglycone
AD06246
Formula: C34H42O4
Smiles:
COC(=O)C(C)C1CCC23CC12C=CC1C2(C)CC=C4CC(c5ccccc5)OCC4(C)C2CC(=O)C13C| HBA: | 4 | RingCount: | 7 |
| HBD: | 0 | FractionCSP3: | 0.65 |
| AlogP: | 6.87 | Num_rotatable_bonds: | 3 |
| MolWt: | 514.71 | Num_heavy_atoms: | 38 |
| TPSA: | 52.6 | NumAromaticRings: | 1 |
