Glycoside
GD155864
Name:
[3,4,5-trihydroxy-6-({4-[(4-hydroxy-2-methylidenebutanoyl)oxy]-2-methylidenebutanoyl}oxy)oxan-2-yl]methyl 4-hydroxy-2-methylidenebutanoateFormula:
C21H30O12Smiles:
C=C(CCO)C(=O)OCCC(=C)C(=O)OC1OC(COC(=O)C(=C)CCO)C(O)C(O)C1OAglycone:
C=C(CCO)C(=O)OC.C=C(CCOC(=O)C(=C)CCO)C(=O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.57 |
| AlogP: | -1.75 | Num_rotatable_bonds: | 13 |
| MolWt: | 474.46 | Num_heavy_atoms: | 33 |
| TPSA: | 189.28 | 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 |
AD61773
Formula: C10H14O5
Smiles:
C=C(CCOC(=O)C(=C)CCO)C(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 7 |
| MolWt: | 214.22 | Num_heavy_atoms: | 15 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
