Glycoside
GD145026
Name:
5-(acetyloxy)-2-{[3,5-bis(acetyloxy)-2-{[6-(dodecyloxy)-4,5-dihydroxy-2-methyloxan-3-yl]oxy}-6-methyloxan-4-yl]methyl}-4-hydroxy-6-methyloxan-3-yl acetateFormula:
C39H66O16Smiles:
CCCCCCCCCCCCOC1OC(C)C(OC2OC(C)C(OC(C)=O)C(CC3OC(C)C(OC(C)=O)C(O)C3OC(C)=O)C2OC(C)=O)C(O)C1OAglycone:
CCCCCCCCCCCCOSugarmoiety:
CC(=O)OC1C(C)OC(CC2C(OC(C)=O)C(C)OC(OC3C(C)OC(O)C(O)C3O)C2OC(C)=O)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 3.4 | Num_rotatable_bonds: | 20 |
| MolWt: | 790.94 | Num_heavy_atoms: | 55 |
| TPSA: | 212.04 | NumAromaticRings: | 0 |
Unique Aglycone
AD00833
Formula: C12H26O
Smiles:
CCCCCCCCCCCCO| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 3.9 | Num_rotatable_bonds: | 10 |
| MolWt: | 186.34 | Num_heavy_atoms: | 13 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
