Glycoside
GD120832
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]-11'-oloxy}oxane-3,4,5-triolFormula:
C35H54O9Smiles:
CC1CC2(OCC3(C)OC32)OC2C1C1(C)CCC34CC35CCC(OC3OCC(O)C(O)C3O)C(C)(C)C5CCC4C1(C)C2OAglycone:
CC1CC2(OCC3(C)OC32)OC2C1C1(C)CCC34CC35CCC(O)C(C)(C)C5CCC4C1(C)C2OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 9 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 3.14 | Num_rotatable_bonds: | 2 |
| MolWt: | 618.81 | Num_heavy_atoms: | 44 |
| TPSA: | 130.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD48584
Formula: C30H46O5
Smiles:
CC1CC2(OCC3(C)OC32)OC2C1C1(C)CCC34CC35CCC(O)C(C)(C)C5CCC4C1(C)C2O| HBA: | 5 | RingCount: | 8 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 4.68 | Num_rotatable_bonds: | 0 |
| MolWt: | 486.69 | Num_heavy_atoms: | 35 |
| TPSA: | 71.45 | NumAromaticRings: | 0 |
