Glycoside
GD125833
Name:
{3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-{[(2-methylbut-2-enoyl)oxy]methyl}oxan-2-yl)oxy]oxan-2-yl}methyl 2-methylbut-2-enoateFormula:
C22H34O13Smiles:
CC=C(C)C(=O)OCC1OC(OC2OC(COC(=O)C(C)=CC)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
CC=C(C)C(=O)OC.CC=C(C)C(=O)OCSugarmoiety:
OC1OC(OC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.73 |
| AlogP: | -2.36 | Num_rotatable_bonds: | 8 |
| MolWt: | 506.5 | Num_heavy_atoms: | 35 |
| TPSA: | 201.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD45418
Formula: C6H10O2
Smiles:
CC=C(C)C(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.5 |
| AlogP: | 1.13 | Num_rotatable_bonds: | 1 |
| MolWt: | 114.14 | Num_heavy_atoms: | 8 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
