Glycoside
GD027044
Name:
2-{4',5,6',12',17',17'-hexamethyl-3,9'-dioxaspiro[bicyclo[3.1.0]hexane-2,8'-hexacyclo[11.9.0.0¹,²¹.0â´,¹².0âµ,¹â°.0¹â¶,²¹]docosane]-4,15'-dioloxy}oxane-3,4,5-triolFormula:
C36H56O9Smiles:
C[C@@H]1C[C@@]2(O[C@H](O)[C@]3(C)C[C@H]23)O[C@@H]2C[C@]3(C)[C@@H]4C[C@H](O)[C@@H]5C(C)(C)[C@H](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(OC3CC4(C)C5CC(O)C6C(C)(C)C(O)CCC67CC57CCC4(C)C13)OC(O)C1(C)CC21Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 9 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 3.33 | Num_rotatable_bonds: | 2 |
| MolWt: | 632.83 | Num_heavy_atoms: | 45 |
| TPSA: | 138.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD17796
Formula: C31H48O5
Smiles:
CC1CC2(OC3CC4(C)C5CC(O)C6C(C)(C)C(O)CCC67CC57CCC4(C)C13)OC(O)C1(C)CC21| HBA: | 5 | RingCount: | 8 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 4.86 | Num_rotatable_bonds: | 0 |
| MolWt: | 500.72 | Num_heavy_atoms: | 36 |
| TPSA: | 79.15 | NumAromaticRings: | 0 |
