Glycoside
GD131144
Name:
2-{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]-13'-ene-4,20'-dioloxy}oxane-3,4,5-triolFormula:
C35H52O10Smiles:
CC1CC2(OC3CC4(C)C5=CCC6C(C)(C)C(OC7OCC(O)C(O)C7O)CC(O)C67CC57CCC4(C)C13)OC(O)C1(C)OC21Aglycone:
CC1CC2(OC3CC4(C)C5=CCC6C(C)(C)C(O)CC(O)C67CC57CCC4(C)C13)OC(O)C1(C)OC21Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 9 |
| HBD: | 5 | FractionCSP3: | 0.94 |
| AlogP: | 2.38 | Num_rotatable_bonds: | 2 |
| MolWt: | 632.79 | Num_heavy_atoms: | 45 |
| TPSA: | 150.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD53142
Formula: C30H44O6
Smiles:
CC1CC2(OC3CC4(C)C5=CCC6C(C)(C)C(O)CC(O)C67CC57CCC4(C)C13)OC(O)C1(C)OC21| HBA: | 6 | RingCount: | 8 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 3.91 | Num_rotatable_bonds: | 0 |
| MolWt: | 500.68 | Num_heavy_atoms: | 36 |
| TPSA: | 91.68 | NumAromaticRings: | 0 |
