Glycoside
GD121360
Name:
2-(2,3-dihydroxy-4-methoxyphenyl)-7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-6-hydroxy-4H-chromen-4-oneFormula:
C28H32O16Smiles:
COc1ccc(-c2cc(=O)c3cc(O)c(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)cc3o2)c(O)c1OAglycone:
COc1ccc(-c2cc(=O)c3cc(O)c(O)cc3o2)c(O)c1OSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.46 |
| AlogP: | -1.38 | Num_rotatable_bonds: | 7 |
| MolWt: | 624.55 | Num_heavy_atoms: | 44 |
| TPSA: | 258.43 | NumAromaticRings: | 3 |
Unique Aglycone
AD48843
Formula: C16H12O7
Smiles:
COc1ccc(-c2cc(=O)c3cc(O)c(O)cc3o2)c(O)c1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.06 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 2 |
| MolWt: | 316.27 | Num_heavy_atoms: | 23 |
| TPSA: | 120.36 | NumAromaticRings: | 3 |
