Glycoside
GD140946
Name:
21-({3-[(4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-4,5-dihydroxyoxan-2-yl}oxy)-2,16,17-trihydroxyhexacosanoic acidFormula:
C42H78O19Smiles:
CCCCCC(CCCC(O)C(O)CCCCCCCCCCCCCC(O)C(=O)O)OC1OCC(O)C(O)C1OC1OCC(O)C(O)C1OC1OC(CO)C(O)C(O)C1OAglycone:
CCCCCC(O)CCCC(O)C(O)CCCCCCCCCCCCCC(O)C(=O)OSugarmoiety:
OCC1OC(OC2C(OC3C(O)OCC(O)C3O)OCC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 3 |
| HBD: | 12 | FractionCSP3: | 0.98 |
| AlogP: | 0.09 | Num_rotatable_bonds: | 31 |
| MolWt: | 887.07 | Num_heavy_atoms: | 61 |
| TPSA: | 315.21 | 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 |
