Glycoside
GD133854
Name:
11-[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-4,5-dihydroxy-6-methyloxan-2-yl)oxy]-3-hydroxytetradecanoic acidFormula:
C32H58O17Smiles:
CCCC(CCCCCCCC(O)CC(=O)O)OC1OC(C)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OC1OC(C)C(O)C(O)C1OAglycone:
CCCC(O)CCCCCCCC(O)CC(=O)OSugarmoiety:
CC1OC(OC2C(OC3C(O)OC(C)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.97 |
| AlogP: | -1.76 | Num_rotatable_bonds: | 19 |
| MolWt: | 714.8 | Num_heavy_atoms: | 49 |
| TPSA: | 274.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD45010
Formula: C14H28O4
Smiles:
CCCC(O)CCCCCCCC(O)CC(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 2.71 | Num_rotatable_bonds: | 12 |
| MolWt: | 260.37 | Num_heavy_atoms: | 18 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
