Glycoside

GD009060
Name:
NoneFormula:
C57H96O19Smiles:
CCCCCCCCCCCC(=O)O[C@@H]1C[C@@H]2[C@@H]3C[C@@H]4O[C@]5(CC[C@H](C)CO5)[C@H](C)[C@H]4[C@@]3(C)CC[C@H]2[C@]2(C)C[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@H](O[C@@H]4O[C@H](C)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)C[C@H]12Aglycone:
CCCCCCCCCCCC(=O)OC1CC2C(CCC3(C)C2CC2OC4(CCC(C)CO4)C(C)C23)C2(C)CC(O)C(O)CC12Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 19 | RingCount: | 9 |
HBD: | 9 | FractionCSP3: | 0.98 |
AlogP: | 3.74 | Num_rotatable_bonds: | 18 |
MolWt: | 1085.38 | Num_heavy_atoms: | 76 |
TPSA: | 282.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD07150
Formula: C39H66O6
Smiles:
CCCCCCCCCCCC(=O)OC1CC2C(CCC3(C)C2CC2OC4(CCC(C)CO4)C(C)C23)C2(C)CC(O)C(O)CC12HBA: | 6 | RingCount: | 6 |
HBD: | 2 | FractionCSP3: | 0.97 |
AlogP: | 8.21 | Num_rotatable_bonds: | 11 |
MolWt: | 630.95 | Num_heavy_atoms: | 45 |
TPSA: | 85.22 | NumAromaticRings: | 0 |