Glycoside
GD125830
Name:
3-[(6-{[(3-{[4-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]oxy}-4,5-dihydroxy-6-methyloxan-2-yl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-chromen-4-oneFormula:
C38H48O23Smiles:
COc1cc(O)c2c(=O)c(OC3OC(COC4OC(C)C(O)C(O)C4OC4OCC(O)(COC5OCC(O)(CO)C5O)C4O)C(O)C(O)C3O)c(-c3ccc(O)cc3)oc2c1Aglycone:
COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc2c1Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(OC2OCC(O)(COC3OCC(O)(CO)C3O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 7 |
| HBD: | 12 | FractionCSP3: | 0.61 |
| AlogP: | -4.16 | Num_rotatable_bonds: | 13 |
| MolWt: | 872.78 | Num_heavy_atoms: | 61 |
| TPSA: | 356.04 | NumAromaticRings: | 3 |
Unique Aglycone
AD01882
Formula: C16H12O6
Smiles:
COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc2c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 2 |
| MolWt: | 300.27 | Num_heavy_atoms: | 22 |
| TPSA: | 100.13 | NumAromaticRings: | 3 |
