Glycoside
GD144080
Name:
4-{6-[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]-5,7-dihydroxy-4-oxo-1,4-dihydronaphthalen-2-yl}phenyl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoateFormula:
C39H42O18Smiles:
COc1cc(C=CC(=O)Oc2ccc(C3=CC(=O)c4c(cc(O)c(C5OC(CO)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)c4O)C3)cc2)cc(OC)c1OAglycone:
COc1cc(C=CC(=O)Oc2ccc(C3=CC(=O)c4c(O)cc(O)cc4C3)cc2)cc(OC)c1OSugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.38 |
| AlogP: | -0.4 | Num_rotatable_bonds: | 11 |
| MolWt: | 798.75 | Num_heavy_atoms: | 57 |
| TPSA: | 291.82 | NumAromaticRings: | 3 |
Unique Aglycone
AD57919
Formula: C27H22O8
Smiles:
COc1cc(C=CC(=O)Oc2ccc(C3=CC(=O)c4c(O)cc(O)cc4C3)cc2)cc(OC)c1O| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.11 |
| AlogP: | 4.26 | Num_rotatable_bonds: | 6 |
| MolWt: | 474.47 | Num_heavy_atoms: | 35 |
| TPSA: | 122.52 | NumAromaticRings: | 3 |
