Glycoside
GD107005
Name:
3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-methoxy-4-oxo-4H-chromen-7-yl]oxy}oxane-2-carboxylic acidFormula:
C23H22O13Smiles:
COc1cc(-c2oc3cc(O[C@H]4O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]4O)cc(O)c3c(=O)c2OC)ccc1OAglycone:
COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC)ccc1OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.3 |
| AlogP: | 0.16 | Num_rotatable_bonds: | 6 |
| MolWt: | 506.42 | Num_heavy_atoms: | 36 |
| TPSA: | 205.58 | NumAromaticRings: | 3 |
Unique Aglycone
AD44257
Formula: C17H14O7
Smiles:
COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC)ccc1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 330.29 | Num_heavy_atoms: | 24 |
| TPSA: | 109.36 | NumAromaticRings: | 3 |
