Glycoside
GD151661
Name:
Cholesteryl-6-O-Tetradecanoyl-A-D-GlucopyranosideFormula:
C47H82O7Smiles:
CCCCCCCCCCCCCC(=O)OCC1OC(OC2CCC3(C)C(=CCC4C3CCC3(C)C(C(C)CCCC(C)C)CCC43)C2)C(O)C(O)C1OAglycone:
CC(C)CCCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C.CCCCCCCCCCCCCC(=O)OCSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.94 |
| AlogP: | 10.46 | Num_rotatable_bonds: | 21 |
| MolWt: | 759.17 | Num_heavy_atoms: | 54 |
| TPSA: | 105.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD02416
Formula: C15H30O2
Smiles:
CCCCCCCCCCCCCC(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.93 |
| AlogP: | 4.86 | Num_rotatable_bonds: | 12 |
| MolWt: | 242.4 | Num_heavy_atoms: | 17 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD13204
Formula: C27H46O
Smiles:
CC(C)CCCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C| HBA: | 1 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.93 |
| AlogP: | 7.39 | Num_rotatable_bonds: | 5 |
| MolWt: | 386.66 | Num_heavy_atoms: | 28 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
