Glycoside
GD149996
Name:
3,4,5-trihydroxy-6-{[5-hydroxy-6-(hydroxymethoxy)-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxane-2-carboxylic acidFormula:
C23H22O13Smiles:
COc1ccc(-c2cc(=O)c3c(O)c(OCO)c(OC4OC(C(=O)O)C(O)C(O)C4O)cc3o2)cc1Aglycone:
COc1ccc(-c2cc(=O)c3c(O)c(OCO)c(O)cc3o2)cc1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.3 |
| AlogP: | -0.23 | Num_rotatable_bonds: | 7 |
| MolWt: | 506.42 | Num_heavy_atoms: | 36 |
| TPSA: | 205.58 | NumAromaticRings: | 3 |
Unique Aglycone
AD49726
Formula: C17H14O7
Smiles:
COc1ccc(-c2cc(=O)c3c(O)c(OCO)c(O)cc3o2)cc1| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 2.21 | Num_rotatable_bonds: | 4 |
| MolWt: | 330.29 | Num_heavy_atoms: | 24 |
| TPSA: | 109.36 | NumAromaticRings: | 3 |
