Glycoside
GD149954
Name:
6-[(2-{[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-4,5-dihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-3-yl)oxy]-4,5-dihydroxy-2-methyloxan-3-yl acetateFormula:
C36H44O22Smiles:
COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2OC2OC(C)C(OC(C)=O)C(O)C2O)ccc1OAglycone:
COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1OSugarmoiety:
CC(=O)OC1C(C)OC(OC2C(O)OC(COC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.56 |
| AlogP: | -2.99 | Num_rotatable_bonds: | 11 |
| MolWt: | 828.73 | Num_heavy_atoms: | 58 |
| TPSA: | 343.65 | NumAromaticRings: | 3 |
Unique Aglycone
AD01682
Formula: C16H12O7
Smiles:
COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.06 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 2 |
| MolWt: | 316.26 | Num_heavy_atoms: | 23 |
| TPSA: | 120.36 | NumAromaticRings: | 3 |
