Glycoside
GD034969
Name:
(3,4,5-trihydroxy-6-{2-[5-(2-methylprop-1-en-1-yl)-2-oxooxolan-3-ylidene]ethoxy}oxan-2-yl)methyl 3-(3-hydroxy-4-methoxyphenyl)prop-2-enoateFormula:
C26H32O11Smiles:
COc1ccc(C=CC(=O)OC[C@@H]2O[C@H](OCC=C3C[C@H](C=C(C)C)OC3=O)[C@H](O)[C@H](O)[C@H]2O)cc1OAglycone:
CC(C)=CC1CC(=CCO)C(=O)O1.COC(=O)C=Cc1ccc(OC)c(O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.46 |
| AlogP: | 0.99 | Num_rotatable_bonds: | 9 |
| MolWt: | 520.53 | Num_heavy_atoms: | 37 |
| TPSA: | 161.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD06791
Formula: C11H12O4
Smiles:
COC(=O)C=Cc1ccc(OC)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 208.21 | Num_heavy_atoms: | 15 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
AD19324
Formula: C10H14O3
Smiles:
CC(C)=CC1CC(=CCO)C(=O)O1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 2 |
| MolWt: | 182.22 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
