Glycoside
GD123569
Name:
4-hydroxy-7-({[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)-5H-furo[3,2-g]chromen-5-oneFormula:
C24H28O15Smiles:
O=c1cc(COC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)oc2cc3occc3c(O)c12Aglycone:
O=c1cc(CO)oc2cc3occc3c(O)c12Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.54 |
| AlogP: | -2.61 | Num_rotatable_bonds: | 7 |
| MolWt: | 556.47 | Num_heavy_atoms: | 39 |
| TPSA: | 242.11 | NumAromaticRings: | 3 |
Unique Aglycone
AD49885
Formula: C12H8O5
Smiles:
O=c1cc(CO)oc2cc3occc3c(O)c12| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 1.74 | Num_rotatable_bonds: | 1 |
| MolWt: | 232.19 | Num_heavy_atoms: | 17 |
| TPSA: | 83.81 | NumAromaticRings: | 3 |
