Glycoside
GD119431
Name:
7,8-dihydroxy-5-[(2-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H-chromen-8-yl)oxy]-2H-chromen-2-oneFormula:
C24H20O13Smiles:
O=c1ccc2ccc(OC3OC(CO)C(O)C(O)C3O)c(Oc3cc(O)c(O)c4oc(=O)ccc34)c2o1Aglycone:
O=c1ccc2ccc(O)c(Oc3cc(O)c(O)c4oc(=O)ccc34)c2o1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.25 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 5 |
| MolWt: | 516.41 | Num_heavy_atoms: | 37 |
| TPSA: | 209.49 | NumAromaticRings: | 4 |
Unique Aglycone
AD47846
Formula: C18H10O8
Smiles:
O=c1ccc2ccc(O)c(Oc3cc(O)c(O)c4oc(=O)ccc34)c2o1| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 2.81 | Num_rotatable_bonds: | 2 |
| MolWt: | 354.27 | Num_heavy_atoms: | 26 |
| TPSA: | 130.34 | NumAromaticRings: | 4 |
