Glycoside
GD117059
Name:
[3,4,5-tris(acetyloxy)-6-{[3,5-dihydroxy-2-methoxy-6-({[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}methyl)oxan-4-yl]oxy}oxan-2-yl]methyl acetateFormula:
C35H50O24Smiles:
COC1OC(COC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(O)C(OC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C1OAglycone:
COC(C)=O.COC(C)=OSugarmoiety:
COC1OC(COC2OC(O)OC(OC(C)=O)C2OC(C)=O)C(O)C(OC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.77 |
| AlogP: | -2.35 | Num_rotatable_bonds: | 16 |
| MolWt: | 854.76 | Num_heavy_atoms: | 59 |
| TPSA: | 306.24 | 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 |
Sugarmoiety
SD04975
COC1OC(COC2OC(O)OC(OC(C)=O)C2OC(C)=O)C(O)C(OC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C1O