Glycoside
GD124400
Name:
6-{[2-butoxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-2-methyloxan-3-yl hexadecanoateFormula:
C32H60O11Smiles:
CCCCCCCCCCCCCCCC(=O)OC1C(C)OC(OC2C(OCCCC)OC(CO)C(O)C2O)C(O)C1OAglycone:
CCCCCCCCCCCCCCCC(=O)O.CCCCOSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.97 |
| AlogP: | 3.49 | Num_rotatable_bonds: | 22 |
| MolWt: | 620.82 | Num_heavy_atoms: | 43 |
| TPSA: | 164.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD00263
Formula: C16H32O2
Smiles:
CCCCCCCCCCCCCCCC(=O)O| HBA: | 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 |
AD00936
Formula: C4H10O
Smiles:
CCCCO| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 2 |
| MolWt: | 74.12 | Num_heavy_atoms: | 5 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
