Glycoside
GD156932
Name:
2-[5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-6-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl acetateFormula:
C30H34O16Smiles:
COc1ccc(-c2cc(=O)c3c(O)c(C4OC(CO)C(O)C(O)C4OC(C)=O)c(O)c(C4OC(CO)C(O)C(O)C4O)c3o2)cc1Aglycone:
COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1Sugarmoiety:
CC(=O)OC1C(O)OC(CO)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.47 |
| AlogP: | -1.52 | Num_rotatable_bonds: | 7 |
| MolWt: | 650.59 | Num_heavy_atoms: | 46 |
| TPSA: | 266.27 | NumAromaticRings: | 3 |
Unique Aglycone
AD02166
Formula: C16H12O5
Smiles:
COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.06 |
| AlogP: | 2.88 | Num_rotatable_bonds: | 2 |
| MolWt: | 284.27 | Num_heavy_atoms: | 21 |
| TPSA: | 79.9 | NumAromaticRings: | 3 |
