Glycoside
GD122111
Name:
3-(acetyloxy)-5-{[3,5-bis(acetyloxy)-6-methyl-4-{[3,4,5-tris(acetyloxy)-6-methyloxan-2-yl]methyl}oxan-2-yl]oxy}-2-(dodecyloxy)-6-methyloxan-4-yl acetateFormula:
C45H72O19Smiles:
CCCCCCCCCCCCOC1OC(C)C(OC2OC(C)C(OC(C)=O)C(CC3OC(C)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)C2OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
CCCCCCCCCCCCOSugarmoiety:
CC(=O)OC1C(C)OC(OC2C(C)OC(O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C1CC1OC(C)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.84 |
| AlogP: | 5.11 | Num_rotatable_bonds: | 23 |
| MolWt: | 917.05 | Num_heavy_atoms: | 64 |
| TPSA: | 230.25 | 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 |
Sugarmoiety
SD05929
CC(=O)OC1C(C)OC(OC2C(C)OC(O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C1CC1OC(C)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O