Glycoside
GD140960
Name:
2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-4-oxo-4H-chromen-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl acetateFormula:
C24H24O14Smiles:
COc1c(O)cc2oc(-c3ccc(O)c(O)c3)c(OC3OC(CO)C(O)C(O)C3OC(C)=O)c(=O)c2c1OAglycone:
COc1c(O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1OSugarmoiety:
CC(=O)OC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.33 |
| AlogP: | 0.04 | Num_rotatable_bonds: | 6 |
| MolWt: | 536.44 | Num_heavy_atoms: | 38 |
| TPSA: | 225.81 | NumAromaticRings: | 3 |
Unique Aglycone
AD01718
Formula: C16H12O8
Smiles:
COc1c(O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.06 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 2 |
| MolWt: | 332.26 | Num_heavy_atoms: | 24 |
| TPSA: | 140.59 | NumAromaticRings: | 3 |
