Glycoside
GD132727
Name:
(5-{[5-(butanoyloxy)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-6-butoxy-3,4-dihydroxyoxan-2-yl)methyl hexadecanoateFormula:
C36H66O12Smiles:
CCCCCCCCCCCCCCCC(=O)OCC1OC(OCCCC)C(OC2OC(C)C(OC(=O)CCC)C(O)C2O)C(O)C1OAglycone:
CCCC(=O)O.CCCCCCCCCCCCCCCC(=O)OC.CCCCOSugarmoiety:
CC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.94 |
| AlogP: | 4.84 | Num_rotatable_bonds: | 25 |
| MolWt: | 690.91 | Num_heavy_atoms: | 48 |
| TPSA: | 170.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD00922
Formula: C4H8O2
Smiles:
CCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 0.87 | Num_rotatable_bonds: | 2 |
| MolWt: | 88.11 | Num_heavy_atoms: | 6 |
| 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 |
AD03475
Formula: C17H34O2
Smiles:
CCCCCCCCCCCCCCCC(=O)OC| HBA: | 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 |
