Glycoside
GD141079
Name:
21-[(3-{[3-({6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-4,5-dihydroxyoxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl)oxy]-2,16,17-trihydroxyhexacosanoic acidFormula:
C44H80O20Smiles:
CCCCCC(CCCC(O)C(O)CCCCCCCCCCCCCC(O)C(=O)O)OC1OCC(O)C(O)C1OC1OCC(O)C(O)C1OC1OC(COC(C)=O)C(O)C(O)C1OAglycone:
CCCCCC(O)CCCC(O)C(O)CCCCCCCCCCCCCC(O)C(=O)O.COC(C)=OSugarmoiety:
OC1COC(O)C(OC2OCC(O)C(O)C2OC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.95 |
| AlogP: | 0.66 | Num_rotatable_bonds: | 32 |
| MolWt: | 929.1 | Num_heavy_atoms: | 64 |
| TPSA: | 321.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
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 |
