Glycoside
GD028395
Name:
3-[5-hydroxy-10-(methoxycarbonyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,8-dioxatricyclo[4.4.0.0²,â´]dec-9-ene-5-carbonyloxy]-2-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acidFormula:
C27H30O17Smiles:
COC(=O)C1=CO[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H]1[C@@H]1O[C@H]1[C@@]2(O)C(=O)OC=C(C(=O)O)c1ccc(O)c(OC)c1Aglycone:
COC(=O)C1=COC(O)C2C1C1OC1C2(O)C(=O)OC=C(C(=O)O)c1ccc(O)c(OC)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.52 |
| AlogP: | -2.66 | Num_rotatable_bonds: | 9 |
| MolWt: | 626.52 | Num_heavy_atoms: | 44 |
| TPSA: | 260.73 | NumAromaticRings: | 1 |
Unique Aglycone
AD18556
Formula: C21H20O12
Smiles:
COC(=O)C1=COC(O)C2C1C1OC1C2(O)C(=O)OC=C(C(=O)O)c1ccc(O)c(OC)c1| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | -0.48 | Num_rotatable_bonds: | 6 |
| MolWt: | 464.38 | Num_heavy_atoms: | 33 |
| TPSA: | 181.58 | NumAromaticRings: | 1 |
