Glycoside
GD005061
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'-en-4-oloxy}oxane-3,4,5-triolFormula:
C35H52O9Smiles:
C[C@@H]1CC2(OC3C[C@]4(C)C5=CC[C@@H]6C(C)(C)C(O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O)CC[C@]67C[C@]57CC[C@@]4(C)C31)OC(O)C1(C)OC21Aglycone:
CC1CC2(OC3CC4(C)C5=CCC6C(C)(C)C(O)CCC67CC57CCC4(C)C13)OC(O)C1(C)OC21Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 9 |
| HBD: | 4 | FractionCSP3: | 0.94 |
| AlogP: | 3.41 | Num_rotatable_bonds: | 2 |
| MolWt: | 616.79 | Num_heavy_atoms: | 44 |
| TPSA: | 130.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD04336
Formula: C30H44O5
Smiles:
CC1CC2(OC3CC4(C)C5=CCC6C(C)(C)C(O)CCC67CC57CCC4(C)C13)OC(O)C1(C)OC21| HBA: | 5 | RingCount: | 8 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 4.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 484.68 | Num_heavy_atoms: | 35 |
| TPSA: | 71.45 | NumAromaticRings: | 0 |
