Glycoside
GD134151
Name:
{3,4-dihydroxy-5-[(2-methylidene-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butanoyl)oxy]oxan-2-yl}methyl 4-hydroxy-2-methylidenebutanoateFormula:
C22H34O14Smiles:
C=C(CCO)C(=O)OCC1OCC(OC(=O)C(=C)CCOC2OC(CO)C(O)C(O)C2O)C(O)C1OAglycone:
C=C(CCO)C(=O)O.C=C(CCO)C(=O)OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OCOC(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.73 |
| AlogP: | -3.74 | Num_rotatable_bonds: | 12 |
| MolWt: | 522.5 | Num_heavy_atoms: | 36 |
| TPSA: | 221.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD02615
Formula: C6H10O3
Smiles:
C=C(CCO)C(=O)OC| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 0.1 | Num_rotatable_bonds: | 3 |
| MolWt: | 130.14 | Num_heavy_atoms: | 9 |
| TPSA: | 46.53 | 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 |
