Glycoside
GD153871
Name:
6-O-(6-O-Pentadecanoyl-Α-D-Glucopyranosyl)-1-O-Pentadecanoyl-Α-D-GlucopyranoseFormula:
C42H78O13Smiles:
CCCCCCCCCCCCCCC(=O)OCC1OC(OCC2OC(OC(=O)CCCCCCCCCCCCCC)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
CCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCC(=O)OCSugarmoiety:
OCC1OC(OCC2OOC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.95 |
| AlogP: | 5.89 | Num_rotatable_bonds: | 32 |
| MolWt: | 791.07 | Num_heavy_atoms: | 55 |
| TPSA: | 201.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD09661
Formula: C15H30O2
Smiles:
CCCCCCCCCCCCCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.93 |
| AlogP: | 5.16 | Num_rotatable_bonds: | 13 |
| MolWt: | 242.4 | Num_heavy_atoms: | 17 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD50528
Formula: C16H32O2
Smiles:
CCCCCCCCCCCCCCC(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.94 |
| AlogP: | 5.25 | Num_rotatable_bonds: | 13 |
| MolWt: | 256.43 | Num_heavy_atoms: | 18 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
