Glycoside
GD127245
Name:
{6-[(6-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-3,4,5-trihydroxyoxan-2-yl}methyl 2-methylbut-2-enoateFormula:
C23H38O17Smiles:
CC=C(C)C(=O)OCC1OC(OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
CC=C(C)C(=O)OCSugarmoiety:
OCC1OC(CO)(OC2OC(COC3OC(O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.87 |
| AlogP: | -6.05 | Num_rotatable_bonds: | 10 |
| MolWt: | 586.54 | Num_heavy_atoms: | 40 |
| TPSA: | 274.75 | 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 |
