Glycoside

GD025737
Name:
NoneFormula:
C44H82O13Smiles:
CCCCCCCCCCCCCCCC(=O)OC[C@@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OC(=O)CCCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCC(=O)OCSugarmoiety:
OCC1OC(O)C(O)C(OC2OC(CO)C(O)C(O)C2O)O1Other Identifiers
Properties
HBA: | 13 | RingCount: | 2 |
HBD: | 6 | FractionCSP3: | 0.95 |
AlogP: | 6.67 | Num_rotatable_bonds: | 34 |
MolWt: | 819.13 | Num_heavy_atoms: | 57 |
TPSA: | 201.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD00263
Formula: C16H32O2
Smiles:
CCCCCCCCCCCCCCCC(=O)OHBA: | 2 | RingCount: | 0 |
HBD: | 1 | FractionCSP3: | 0.94 |
AlogP: | 5.55 | Num_rotatable_bonds: | 14 |
MolWt: | 256.43 | Num_heavy_atoms: | 18 |
TPSA: | 37.3 | NumAromaticRings: | 0 |
AD03475
Formula: C17H34O2
Smiles:
CCCCCCCCCCCCCCCC(=O)OCHBA: | 2 | RingCount: | 0 |
HBD: | 0 | FractionCSP3: | 0.94 |
AlogP: | 5.64 | Num_rotatable_bonds: | 14 |
MolWt: | 270.46 | Num_heavy_atoms: | 19 |
TPSA: | 26.3 | NumAromaticRings: | 0 |