Glycoside
GD128485
Name:
{3,4,5-trihydroxy-6-[(4-hydroxy-2-methylidenebutanoyl)oxy]oxan-2-yl}methyl 3,4-dihydroxy-2-methylidenebutanoateFormula:
C16H24O11Smiles:
C=C(CCO)C(=O)OC1OC(COC(=O)C(=C)C(O)CO)C(O)C(O)C1OAglycone:
C=C(C(=O)OC)C(O)CO.C=C(CCO)C(=O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.62 |
| AlogP: | -3.27 | Num_rotatable_bonds: | 9 |
| MolWt: | 392.36 | Num_heavy_atoms: | 27 |
| TPSA: | 183.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD06396
Formula: C6H10O4
Smiles:
C=C(C(=O)OC)C(O)CO| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 3 |
| MolWt: | 146.14 | Num_heavy_atoms: | 10 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD09140
Formula: C5H8O3
Smiles:
C=C(CCO)C(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 0.01 | Num_rotatable_bonds: | 3 |
| MolWt: | 116.12 | Num_heavy_atoms: | 8 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
