Glycoside
GD116642
Name:
ethyl 3-[2-(3,5-dihydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-5,7-dimethoxy-4-oxo-4H-chromen-6-yl]prop-2-enoateFormula:
C28H30O14Smiles:
CCOC(=O)C=Cc1c(OC)cc2oc(-c3cc(O)c(OC4OC(CO)C(O)C(O)C4O)c(O)c3)cc(=O)c2c1OCAglycone:
CCOC(=O)C=Cc1c(OC)cc2oc(-c3cc(O)c(O)c(O)c3)cc(=O)c2c1OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.36 |
| AlogP: | 0.64 | Num_rotatable_bonds: | 9 |
| MolWt: | 590.53 | Num_heavy_atoms: | 42 |
| TPSA: | 214.81 | NumAromaticRings: | 3 |
Unique Aglycone
AD46361
Formula: C22H20O9
Smiles:
CCOC(=O)C=Cc1c(OC)cc2oc(-c3cc(O)c(O)c(O)c3)cc(=O)c2c1OC| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.18 |
| AlogP: | 3.17 | Num_rotatable_bonds: | 6 |
| MolWt: | 428.39 | Num_heavy_atoms: | 31 |
| TPSA: | 135.66 | NumAromaticRings: | 3 |
