Glycoside
GD138459
Name:
4',5,6',12',17',17'-hexamethyl-18'-[(3,4,5-trihydroxyoxan-2-yl)oxy]-3,6,9'-trioxaspiro[bicyclo[3.1.0]hexane-2,8'-hexacyclo[11.9.0.0¹,²¹.0â´,¹².0âµ,¹â°.0¹â¶,²¹]docosan]-14'-en-3'-yl acetateFormula:
C37H54O10Smiles:
CC(=O)OC1CC23CC24CCC(OC2OCC(O)C(O)C2O)C(C)(C)C4C=CC3C2(C)CC3OC4(CC(C)C3C12C)OCC1(C)OC14Aglycone:
CC(=O)OC1CC23CC24CCC(O)C(C)(C)C4C=CC3C2(C)CC3OC4(CC(C)C3C12C)OCC1(C)OC14Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 9 |
| HBD: | 3 | FractionCSP3: | 0.92 |
| AlogP: | 3.49 | Num_rotatable_bonds: | 3 |
| MolWt: | 658.83 | Num_heavy_atoms: | 47 |
| TPSA: | 136.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD55885
Formula: C32H46O6
Smiles:
CC(=O)OC1CC23CC24CCC(O)C(C)(C)C4C=CC3C2(C)CC3OC4(CC(C)C3C12C)OCC1(C)OC14| HBA: | 6 | RingCount: | 8 |
| HBD: | 1 | FractionCSP3: | 0.91 |
| AlogP: | 5.02 | Num_rotatable_bonds: | 1 |
| MolWt: | 526.71 | Num_heavy_atoms: | 38 |
| TPSA: | 77.52 | NumAromaticRings: | 0 |
