Glycoside
GD147914
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}pentadecanoic acidFormula:
C45H80O25Smiles:
CCCC(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:
CCCC(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: | -3.66 | Num_rotatable_bonds: | 25 |
| MolWt: | 1021.11 | Num_heavy_atoms: | 70 |
| TPSA: | 392.59 | NumAromaticRings: | 0 |
Unique Aglycone
AD59215
Formula: C15H30O3
Smiles:
CCCC(O)CCCCCCCCCCC(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 4.13 | Num_rotatable_bonds: | 13 |
| MolWt: | 258.4 | Num_heavy_atoms: | 18 |
| 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