Glycoside
GD120449
Name:
12-{[3-({3,4-dihydroxy-5-[(3-hydroxy-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}heptadecanoic acidFormula:
C47H84O25Smiles:
CCCCCC(CCCCCCCCCCC(=O)O)OC1OC(CO)C(O)C(O)C1OC1OC(C)C(OC2OC(C)C(OC3OC(C)C(O)C(O)C3O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C1OAglycone:
CCCCCC(O)CCCCCCCCCCC(=O)OSugarmoiety:
CC1OC(OC2C(C)OC(OC3C(C)OC(OC4C(O)OC(CO)C(O)C4O)C(O)C3O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 5 |
| HBD: | 14 | FractionCSP3: | 0.98 |
| AlogP: | -2.88 | Num_rotatable_bonds: | 27 |
| MolWt: | 1049.16 | Num_heavy_atoms: | 72 |
| TPSA: | 392.59 | NumAromaticRings: | 0 |
Unique Aglycone
AD48392
Formula: C17H34O3
Smiles:
CCCCCC(O)CCCCCCCCCCC(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.94 |
| AlogP: | 4.91 | Num_rotatable_bonds: | 15 |
| MolWt: | 286.46 | Num_heavy_atoms: | 20 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
Sugarmoiety
SD05623
CC1OC(OC2C(C)OC(OC3C(C)OC(OC4C(O)OC(CO)C(O)C4O)C(O)C3O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O