Glycoside
GD138673
Name:
3-{[6-({[3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-chromen-4-oneFormula:
C28H32O16Smiles:
COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2OC2OC(COC3OC(C(C)O)C(O)C3O)C(O)C(O)C2O)cc1OAglycone:
COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1OSugarmoiety:
CC(O)C1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.46 |
| AlogP: | -1.38 | Num_rotatable_bonds: | 8 |
| MolWt: | 624.55 | Num_heavy_atoms: | 44 |
| TPSA: | 258.43 | NumAromaticRings: | 3 |
Unique Aglycone
AD03173
Formula: C16H12O7
Smiles:
COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1O| 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 |
