Glycoside
GD141131
Name:
21-{[5-(acetyloxy)-3-[(3-{[5-(acetyloxy)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl)oxy]-4-hydroxyoxan-2-yl]oxy}-2,16,17-trihydroxyhexacosanoic acidFormula:
C46H82O21Smiles:
CCCCCC(CCCC(O)C(O)CCCCCCCCCCCCCC(O)C(=O)O)OC1OCC(OC(C)=O)C(O)C1OC1OCC(O)C(O)C1OC1OC(CO)C(OC(C)=O)C(O)C1OAglycone:
CCCCCC(O)CCCC(O)C(O)CCCCCCCCCCCCCC(O)C(=O)OSugarmoiety:
CC(=O)OC1COC(O)C(OC2OCC(O)C(O)C2OC2OC(CO)C(OC(C)=O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.93 |
| AlogP: | 1.23 | Num_rotatable_bonds: | 33 |
| MolWt: | 971.14 | Num_heavy_atoms: | 67 |
| TPSA: | 327.35 | NumAromaticRings: | 0 |
Unique Aglycone
AD49916
Formula: C26H52O6
Smiles:
CCCCCC(O)CCCC(O)C(O)CCCCCCCCCCCCCC(O)C(=O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.96 |
| AlogP: | 5.34 | Num_rotatable_bonds: | 24 |
| MolWt: | 460.7 | Num_heavy_atoms: | 32 |
| TPSA: | 118.22 | NumAromaticRings: | 0 |
