Glycoside
GD136707
Name:
3-{[3-({4,5-dihydroxy-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-4,5-dihydroxyoxan-2-yl]oxy}-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl icosanoateFormula:
C40H72O18Smiles:
CCCCCCCCCCCCCCCCCCCC(=O)OC1OC(CO)C(O)C1OC1OCC(O)C(O)C1OC1OCC(O)C(O)C1OC1OCC(O)C(O)C1OAglycone:
CCCCCCCCCCCCCCCCCCCC(=O)OSugarmoiety:
OCC1OC(O)C(OC2OCC(O)C(O)C2OC2OCC(O)C(O)C2OC2OCC(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.97 |
| AlogP: | 0.4 | Num_rotatable_bonds: | 26 |
| MolWt: | 841.0 | Num_heavy_atoms: | 58 |
| TPSA: | 272.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD12732
Formula: C20H40O2
Smiles:
CCCCCCCCCCCCCCCCCCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.95 |
| AlogP: | 7.11 | Num_rotatable_bonds: | 18 |
| MolWt: | 312.54 | Num_heavy_atoms: | 22 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
