Glycoside
GD157431
Name:
(3,4,5-trihydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)methyl 2-methylbut-2-enoateFormula:
C17H28O12Smiles:
CC=C(C)C(=O)OCC1OC(OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
CC=C(C)C(=O)OCSugarmoiety:
OCC1OC(OC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.82 |
| AlogP: | -3.88 | Num_rotatable_bonds: | 6 |
| MolWt: | 424.4 | Num_heavy_atoms: | 29 |
| TPSA: | 195.6 | 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 |
