Glycoside
GD126884
Name:
3,4,5-trihydroxy-6-[(5-hydroxy-2-{4-hydroxy-3-[4-hydroxy-5-methyl-2-(propan-2-yl)phenoxy]phenyl}-4-oxo-4H-chromen-7-yl)oxy]oxane-2-carboxylic acidFormula:
C31H30O13Smiles:
Cc1cc(Oc2cc(-c3cc(=O)c4c(O)cc(OC5OC(C(=O)O)C(O)C(O)C5O)cc4o3)ccc2O)c(C(C)C)cc1OAglycone:
Cc1cc(Oc2cc(-c3cc(=O)c4c(O)cc(O)cc4o3)ccc2O)c(C(C)C)cc1OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.29 |
| AlogP: | 3.07 | Num_rotatable_bonds: | 7 |
| MolWt: | 610.57 | Num_heavy_atoms: | 44 |
| TPSA: | 216.58 | NumAromaticRings: | 4 |
Unique Aglycone
AD51361
Formula: C25H22O7
Smiles:
Cc1cc(Oc2cc(-c3cc(=O)c4c(O)cc(O)cc4o3)ccc2O)c(C(C)C)cc1O| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.16 |
| AlogP: | 5.51 | Num_rotatable_bonds: | 4 |
| MolWt: | 434.44 | Num_heavy_atoms: | 32 |
| TPSA: | 120.36 | NumAromaticRings: | 4 |
