Glycoside
GD108546
Name:
12-({3-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4,5-dihydroxy-6-methyloxan-2-yl}oxy)-17-hydroxy-6-methyl-8-oxo-9-oxatetracyclo[8.8.0.0²,â·.0¹¹,¹â¶]octadeca-1(10),2,4,6,11,13,15,17-octaene-3-carboxylic acidFormula:
C32H34O14Smiles:
CO[C@@H]1[C@H](O)[C@H](C)O[C@H](O[C@@H]2[C@@H](Oc3cccc4c(O)cc5c(oc(=O)c6c(C)ccc(C(=O)O)c65)c34)O[C@@H](C)[C@@H](O)[C@H]2O)[C@@H]1OAglycone:
Cc1ccc(C(=O)O)c2c1c(=O)oc1c2cc(O)c2cccc(O)c21Sugarmoiety:
COC1C(O)C(C)OC(OC2C(O)OC(C)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.44 |
| AlogP: | 1.52 | Num_rotatable_bonds: | 6 |
| MolWt: | 642.61 | Num_heavy_atoms: | 46 |
| TPSA: | 214.81 | NumAromaticRings: | 4 |
Unique Aglycone
AD44445
Formula: C19H12O6
Smiles:
Cc1ccc(C(=O)O)c2c1c(=O)oc1c2cc(O)c2cccc(O)c21| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.05 |
| AlogP: | 3.52 | Num_rotatable_bonds: | 1 |
| MolWt: | 336.3 | Num_heavy_atoms: | 25 |
| TPSA: | 107.97 | NumAromaticRings: | 4 |
