Glycoside
GD158028
Name:
13-(3,5-dihydroxyhexan-2-yl)-5-hydroxy-3-methoxy-2,12,22,24-tetramethyl-25-[(1,3,4-trihydroxy-2-methoxy-5-methylhexyl)oxy]-14,32-dioxa-33-azabicyclo[28.2.1]tritriaconta-1(33),6,8,10,16,18,20,22,26,28,30-undecaen-15-oneFormula:
C49H73O12NSmiles:
COC1CC(O)C=CC=CC=CC(C)C(C(C)C(O)CC(C)O)OC(=O)C=CC=CC=CC(C)=CC(C)C(OC(O)C(OC)C(O)C(O)C(C)C)C=CC=Cc2coc(n2)C1CAglycone:
COC1CC(O)C=CC=CC=CC(C)C(C(C)C(O)CC(C)O)OC(=O)C=CC=CC=CC(C)=CC(C)CC=CC=Cc2coc(n2)C1CSugarmoiety:
COC(C(O)OO)C(O)C(O)C(C)COther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.55 |
| AlogP: | 6.46 | Num_rotatable_bonds: | 12 |
| MolWt: | 868.12 | Num_heavy_atoms: | 62 |
| TPSA: | 201.4 | NumAromaticRings: | 1 |
Unique Aglycone
AD62408
Formula: C41H57O7N
Smiles:
COC1CC(O)C=CC=CC=CC(C)C(C(C)C(O)CC(C)O)OC(=O)C=CC=CC=CC(C)=CC(C)CC=CC=Cc2coc(n2)C1C| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.46 |
| AlogP: | 7.75 | Num_rotatable_bonds: | 5 |
| MolWt: | 675.91 | Num_heavy_atoms: | 49 |
| TPSA: | 122.25 | NumAromaticRings: | 1 |
