Glycoside
GD119945
Name:
5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-7-[(2,3,4,5,6-pentahydroxyhexyl)oxy]-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-4-oneFormula:
C33H42O16Smiles:
COc1ccc(-c2oc3c(CC=C(C)C)c(OCC(O)C(O)C(O)C(O)CO)cc(O)c3c(=O)c2OC2OC(C)C(O)C(O)C2O)cc1OAglycone:
COc1ccc(-c2oc3c(CC=C(C)C)ccc(O)c3c(=O)c2O)cc1OSugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC(O)C(O)C(O)C(O)COOOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.48 |
| AlogP: | -0.59 | Num_rotatable_bonds: | 13 |
| MolWt: | 694.68 | Num_heavy_atoms: | 49 |
| TPSA: | 269.43 | NumAromaticRings: | 3 |
Unique Aglycone
AD48135
Formula: C21H20O6
Smiles:
COc1ccc(-c2oc3c(CC=C(C)C)ccc(O)c3c(=O)c2O)cc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.19 |
| AlogP: | 4.09 | Num_rotatable_bonds: | 4 |
| MolWt: | 368.39 | Num_heavy_atoms: | 27 |
| TPSA: | 100.13 | NumAromaticRings: | 3 |
