Glycoside
GD014019
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]docosane]oxy}oxane-3,4,5-triolFormula:
C35H54O8Smiles:
C[C@@H]1C[C@@]2(OC[C@]3(C)O[C@H]32)O[C@@H]2C[C@]3(C)[C@@H]4CC[C@@H]5C(C)(C)C(O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)CC[C@]56C[C@@]46CC[C@@]3(C)[C@@H]12Aglycone:
CC1CC2(OCC3(C)OC32)OC2CC3(C)C4CCC5C(C)(C)C(O)CCC56CC46CCC3(C)C12Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 9 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 4.17 | Num_rotatable_bonds: | 2 |
| MolWt: | 602.81 | Num_heavy_atoms: | 43 |
| TPSA: | 110.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD10382
Formula: C30H46O4
Smiles:
CC1CC2(OCC3(C)OC32)OC2CC3(C)C4CCC5C(C)(C)C(O)CCC56CC46CCC3(C)C12| HBA: | 4 | RingCount: | 8 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 5.71 | Num_rotatable_bonds: | 0 |
| MolWt: | 470.69 | Num_heavy_atoms: | 34 |
| TPSA: | 51.22 | NumAromaticRings: | 0 |
