Glycoside
GD121826
Name:
6-({2-[4-(cyclopentyloxy)phenyl]-5-hydroxy-6-methoxy-4-oxo-4H-chromen-7-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C27H28O12Smiles:
COc1c(OC2OC(C(=O)O)C(O)C(O)C2O)cc2oc(-c3ccc(OC4CCCC4)cc3)cc(=O)c2c1OAglycone:
COc1c(O)cc2oc(-c3ccc(OC4CCCC4)cc3)cc(=O)c2c1OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | 1.77 | Num_rotatable_bonds: | 7 |
| MolWt: | 544.51 | Num_heavy_atoms: | 39 |
| TPSA: | 185.35 | NumAromaticRings: | 3 |
Unique Aglycone
AD48339
Formula: C21H20O6
Smiles:
COc1c(O)cc2oc(-c3ccc(OC4CCCC4)cc3)cc(=O)c2c1O| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | 4.2 | Num_rotatable_bonds: | 4 |
| MolWt: | 368.39 | Num_heavy_atoms: | 27 |
| TPSA: | 89.13 | NumAromaticRings: | 3 |
