Glycoside
GD131940
Name:
18'-{[3-(acetyloxy)-4,5-dihydroxyoxan-2-yl]oxy}-4-hydroxy-4',5,6',12',17',17'-hexamethyl-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:
C39H58O12Smiles:
CC(=O)OC1C(OC2CCC34CC35CC(OC(C)=O)C3(C)C6C(C)CC7(OC6CC3(C)C5CCC4C2(C)C)OC(O)C2(C)OC72)OCC(O)C1OAglycone:
CC(=O)OC1CC23CC24CCC(O)C(C)(C)C4CCC3C2(C)CC3OC4(CC(C)C3C12C)OC(O)C1(C)OC41Sugarmoiety:
CC(=O)OC1C(O)OCC(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 9 |
| HBD: | 3 | FractionCSP3: | 0.95 |
| AlogP: | 3.6 | Num_rotatable_bonds: | 4 |
| MolWt: | 718.88 | Num_heavy_atoms: | 51 |
| TPSA: | 162.74 | NumAromaticRings: | 0 |
Unique Aglycone
AD11634
Formula: C32H48O7
Smiles:
CC(=O)OC1CC23CC24CCC(O)C(C)(C)C4CCC3C2(C)CC3OC4(CC(C)C3C12C)OC(O)C1(C)OC41| HBA: | 7 | RingCount: | 8 |
| HBD: | 2 | FractionCSP3: | 0.97 |
| AlogP: | 4.57 | Num_rotatable_bonds: | 1 |
| MolWt: | 544.73 | Num_heavy_atoms: | 39 |
| TPSA: | 97.75 | NumAromaticRings: | 0 |
