Glycoside
GD122425
Name:
[3,4,5-trihydroxy-6-(3-hydroxy-4,5-dimethoxyphenoxy)oxan-2-yl]methyl 5-{3,8-dihydroxy-1,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octan-8-yl}-3-methylpenta-2,4-dienoateFormula:
C29H38O14Smiles:
COc1cc(OC2OC(COC(=O)C=C(C)C=CC3(O)C4(C)CC(O)CC3(C)C(=O)O4)C(O)C(O)C2O)cc(O)c1OCAglycone:
COC(=O)C=C(C)C=CC1(O)C2(C)CC(O)CC1(C)C(=O)O2.COc1cc(O)cc(O)c1OCSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.59 |
| AlogP: | -0.15 | Num_rotatable_bonds: | 9 |
| MolWt: | 610.61 | Num_heavy_atoms: | 43 |
| TPSA: | 210.9 | NumAromaticRings: | 1 |
Unique Aglycone
AD01391
Formula: C8H10O4
Smiles:
COc1cc(O)cc(O)c1OC| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 2 |
| MolWt: | 170.16 | Num_heavy_atoms: | 12 |
| TPSA: | 58.92 | NumAromaticRings: | 1 |
AD49330
Formula: C16H22O6
Smiles:
COC(=O)C=C(C)C=CC1(O)C2(C)CC(O)CC1(C)C(=O)O2| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.62 |
| AlogP: | 0.87 | Num_rotatable_bonds: | 3 |
| MolWt: | 310.35 | Num_heavy_atoms: | 22 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
