Glycoside
GD119260
Name:
11'-hydroxy-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]-3'-yl acetateFormula:
C37H56O11Smiles:
CC(=O)OC1CC23CC24CCC(OC2OCC(O)C(O)C2O)C(C)(C)C4CCC3C2(C)C(O)C3OC4(CC(C)C3C12C)OCC1(C)OC14Aglycone:
CC(=O)OC1CC23CC24CCC(O)C(C)(C)C4CCC3C2(C)C(O)C3OC4(CC(C)C3C12C)OCC1(C)OC14Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 9 |
| HBD: | 4 | FractionCSP3: | 0.97 |
| AlogP: | 2.68 | Num_rotatable_bonds: | 3 |
| MolWt: | 676.84 | Num_heavy_atoms: | 48 |
| TPSA: | 156.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD47749
Formula: C32H48O7
Smiles:
CC(=O)OC1CC23CC24CCC(O)C(C)(C)C4CCC3C2(C)C(O)C3OC4(CC(C)C3C12C)OCC1(C)OC14| HBA: | 7 | RingCount: | 8 |
| HBD: | 2 | FractionCSP3: | 0.97 |
| AlogP: | 4.22 | Num_rotatable_bonds: | 1 |
| MolWt: | 544.73 | Num_heavy_atoms: | 39 |
| TPSA: | 97.75 | NumAromaticRings: | 0 |
