Glycoside
GD019765
Name:
2-hydroxy-7-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-10,17-dimethyl-16,21-dioxahexacyclo[15.3.1.0¹,¹â´.0²,¹¹.0âµ,¹â°.0¹â´,¹â¸]henicos-4-en-15-oneFormula:
C28H40O8Smiles:
COC1CC(O[C@@H]2CC[C@]3(C)C(=CC[C@]4(O)C3CCC35C(=O)O[C@]6(C)O[C@@]34CC[C@H]56)C2)OC(C)C1OAglycone:
CC12OC(=O)C34CCC5C6(C)CCC(O)CC6=CCC5(O)C3(CCC14)O2Sugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.89 |
| AlogP: | 2.98 | Num_rotatable_bonds: | 3 |
| MolWt: | 504.62 | Num_heavy_atoms: | 36 |
| TPSA: | 103.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD13751
Formula: C21H28O5
Smiles:
CC12OC(=O)C34CCC5C6(C)CCC(O)CC6=CCC5(O)C3(CCC14)O2| HBA: | 5 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | 2.45 | Num_rotatable_bonds: | 0 |
| MolWt: | 360.45 | Num_heavy_atoms: | 26 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
