Glycoside
GD006052
Name:
6-({6,10,10,14,15,21,21-heptamethyl-25-oxo-3,24-dioxaheptacyclo[16.5.2.0¹,¹âµ.0²,â´.0âµ,¹â´.0â¶,¹¹.0¹â¸,²³]pentacosan-9-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C36H54O10Smiles:
CC1(C)CC[C@@]23CC[C@]4(C)[C@@](OC2=O)([C@H]3C1)[C@@H]1O[C@H]1[C@@H]1[C@]2(C)CC[C@H](O[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]3O)C(C)(C)[C@H]2CC[C@]14CAglycone:
CC1(C)CCC23CCC4(C)C5(C)CCC6C(C)(C)C(O)CCC6(C)C5C5OC5C4(OC2=O)C3C1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 8 |
| HBD: | 4 | FractionCSP3: | 0.94 |
| AlogP: | 3.81 | Num_rotatable_bonds: | 3 |
| MolWt: | 646.82 | Num_heavy_atoms: | 46 |
| TPSA: | 155.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD05043
Formula: C30H46O4
Smiles:
CC1(C)CCC23CCC4(C)C5(C)CCC6C(C)(C)C(O)CCC6(C)C5C5OC5C4(OC2=O)C3C1| HBA: | 4 | RingCount: | 7 |
| HBD: | 1 | FractionCSP3: | 0.97 |
| AlogP: | 5.9 | Num_rotatable_bonds: | 0 |
| MolWt: | 470.69 | Num_heavy_atoms: | 34 |
| TPSA: | 59.06 | NumAromaticRings: | 0 |
