Glycoside
GD142982
Name:
6-{[5,6-dihydroxy-2-(4-hydroxyphenyl)-3-(3-methylbutyl)-4-oxo-4H-chromen-7-yl]oxy}-3,4,4,5-tetrahydroxyoxane-2-carboxylic acidFormula:
C26H28O13Smiles:
CC(C)CCc1c(-c2ccc(O)cc2)oc2cc(OC3OC(C(=O)O)C(O)C(O)(O)C3O)c(O)c(O)c2c1=OAglycone:
CC(C)CCc1c(-c2ccc(O)cc2)oc2cc(O)c(O)c(O)c2c1=OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.38 |
| AlogP: | 0.76 | Num_rotatable_bonds: | 7 |
| MolWt: | 548.5 | Num_heavy_atoms: | 39 |
| TPSA: | 227.58 | NumAromaticRings: | 3 |
Unique Aglycone
AD47649
Formula: C20H20O6
Smiles:
CC(C)CCc1c(-c2ccc(O)cc2)oc2cc(O)c(O)c(O)c2c1=O| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.25 |
| AlogP: | 3.87 | Num_rotatable_bonds: | 4 |
| MolWt: | 356.37 | Num_heavy_atoms: | 26 |
| TPSA: | 111.13 | NumAromaticRings: | 3 |
