Glycoside

GD009040
Name:
NoneFormula:
C42H72O20Smiles:
CCCCCCCCCCCCO[C@@H]1O[C@H](C)[C@H](O[C@@H]2O[C@H](C)[C@H](OC(C)=O)[C@H](O[C@@H]3O[C@H](C)[C@H](O)[C@H](O[C@@H]4O[C@H](C)[C@H](OC(C)=O)[C@H](O)[C@H]4O)[C@H]3OC(C)=O)[C@H]2O)[C@H](O)[C@H]1OAglycone:
CCCCCCCCCCCCOSugarmoiety:
CC(=O)OC1C(C)OC(OC2C(O)C(C)OC(OC3C(O)C(OC4C(C)OC(O)C(O)C4O)OC(C)C3OC(C)=O)C2OC(C)=O)C(O)C1OOther Identifiers
Properties
HBA: | 20 | RingCount: | 4 |
HBD: | 6 | FractionCSP3: | 0.93 |
AlogP: | 1.02 | Num_rotatable_bonds: | 21 |
MolWt: | 897.02 | Num_heavy_atoms: | 62 |
TPSA: | 274.12 | NumAromaticRings: | 0 |
Unique Aglycone
AD00833
Formula: C12H26O
Smiles:
CCCCCCCCCCCCOHBA: | 1 | RingCount: | 0 |
HBD: | 1 | FractionCSP3: | 1.0 |
AlogP: | 3.9 | Num_rotatable_bonds: | 10 |
MolWt: | 186.34 | Num_heavy_atoms: | 13 |
TPSA: | 20.23 | NumAromaticRings: | 0 |
Sugarmoiety

SD01414
CC(=O)OC1C(C)OC(OC2C(O)C(C)OC(OC3C(O)C(OC4C(C)OC(O)C(O)C4O)OC(C)C3OC(C)=O)C2OC(C)=O)C(O)C1O