Glycoside
GD134271
Name:
5,7-dihydroxy-8-(3-hydroxy-3-methylbutyl)-2-(4-methoxyphenyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-4-oneFormula:
C27H32O11Smiles:
COc1ccc(-c2oc3c(CCC(C)(C)O)c(O)cc(O)c3c(=O)c2OC2OC(C)C(O)C(O)C2O)cc1Aglycone:
COc1ccc(-c2oc3c(CCC(C)(C)O)c(O)cc(O)c3c(=O)c2O)cc1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.44 |
| AlogP: | 1.79 | Num_rotatable_bonds: | 7 |
| MolWt: | 532.54 | Num_heavy_atoms: | 38 |
| TPSA: | 179.28 | NumAromaticRings: | 3 |
Unique Aglycone
AD46804
Formula: C21H22O7
Smiles:
COc1ccc(-c2oc3c(CCC(C)(C)O)c(O)cc(O)c3c(=O)c2O)cc1| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | 3.29 | Num_rotatable_bonds: | 5 |
| MolWt: | 386.4 | Num_heavy_atoms: | 28 |
| TPSA: | 120.36 | NumAromaticRings: | 3 |
