Glycoside
GD129619
Name:
2-[(6-{[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoateFormula:
C39H42O21Smiles:
COc1cc(C=CC(=O)OC2C(OCC3OC(Oc4c(-c5ccc(O)c(OC)c5)oc5cc(O)c(OC)c(O)c5c4=O)C(O)C(O)C3O)OC(CO)C(O)C2O)ccc1OAglycone:
COc1cc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2O)ccc1O.COc1cc(C=CC(=O)O)ccc1OSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.38 |
| AlogP: | -0.42 | Num_rotatable_bonds: | 13 |
| MolWt: | 846.74 | Num_heavy_atoms: | 60 |
| TPSA: | 323.42 | NumAromaticRings: | 4 |
Unique Aglycone
AD00175
Formula: C10H10O4
Smiles:
COc1cc(C=CC(=O)O)ccc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 3 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
AD05337
Formula: C17H14O8
Smiles:
COc1cc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2O)ccc1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.12 |
| AlogP: | 2.3 | Num_rotatable_bonds: | 3 |
| MolWt: | 346.29 | Num_heavy_atoms: | 25 |
| TPSA: | 129.59 | NumAromaticRings: | 3 |
