Glycoside
GD155146
Name:
11-[(3-{[3-({3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5-dihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-3-hydroxytetradecanoic acidFormula:
C44H78O26Smiles:
CCCC(CCCCCCCC(O)CC(=O)O)OC1OC(COC2OC(C)C(O)C(O)C2O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OC1OC(C)C(OC2OC(C)C(O)C(O)C2O)C(O)C1OAglycone:
CCCC(O)CCCCCCCC(O)CC(=O)OSugarmoiety:
CC1OC(OCC2OC(O)C(OC3OC(CO)C(O)C(O)C3OC3OC(C)C(OC4OC(C)C(O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 26 | RingCount: | 5 |
| HBD: | 15 | FractionCSP3: | 0.98 |
| AlogP: | -5.08 | Num_rotatable_bonds: | 24 |
| MolWt: | 1023.08 | Num_heavy_atoms: | 70 |
| TPSA: | 412.82 | 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 |
Sugarmoiety
SD06136
CC1OC(OCC2OC(O)C(OC3OC(CO)C(O)C(O)C3OC3OC(C)C(OC4OC(C)C(O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O