Glycoside
GD128909
Name:
2-{3-[5-(5,7-dihydroxy-4-oxo-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-2-yl)-2-hydroxyphenoxy]-4-hydroxyphenyl}-5,7-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-oneFormula:
C42H38O23Smiles:
O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(Oc3cc(-c4oc5cc(O)cc(O)c5c(=O)c4OC4OC(CO)C(O)C(O)C4O)ccc3O)c2)oc2cc(O)cc(O)c12Aglycone:
O=c1c(O)c(-c2ccc(O)c(Oc3cc(-c4oc5cc(O)cc(O)c5c(=O)c4O)ccc3O)c2)oc2cc(O)cc(O)c12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 8 |
| HBD: | 14 | FractionCSP3: | 0.29 |
| AlogP: | -0.38 | Num_rotatable_bonds: | 10 |
| MolWt: | 910.74 | Num_heavy_atoms: | 65 |
| TPSA: | 389.79 | NumAromaticRings: | 6 |
Unique Aglycone
AD52214
Formula: C30H18O13
Smiles:
O=c1c(O)c(-c2ccc(O)c(Oc3cc(-c4oc5cc(O)cc(O)c5c(=O)c4O)ccc3O)c2)oc2cc(O)cc(O)c12| HBA: | 13 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.0 |
| AlogP: | 4.67 | Num_rotatable_bonds: | 4 |
| MolWt: | 586.46 | Num_heavy_atoms: | 43 |
| TPSA: | 231.49 | NumAromaticRings: | 6 |
