Glycoside
GD121120
Name:
5-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-[(4,5,6-trihydroxy-2-methyloxan-3-yl)oxy]oxan-3-yl]oxy}oxane-3,4-dicarbaldehydeFormula:
C34H38O19Smiles:
CC1OC(O)C(O)C(O)C1OC1OC(CO)C(OC2OCC(Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)C(C=O)C2C=O)C(O)C1OAglycone:
O=CC1C(O)OCC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C1C=OSugarmoiety:
CC1OC(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.5 |
| AlogP: | -2.02 | Num_rotatable_bonds: | 10 |
| MolWt: | 750.66 | Num_heavy_atoms: | 53 |
| TPSA: | 301.8 | NumAromaticRings: | 3 |
Unique Aglycone
AD48725
Formula: C22H18O10
Smiles:
O=CC1C(O)OCC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C1C=O| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.23 |
| AlogP: | 1.3 | Num_rotatable_bonds: | 5 |
| MolWt: | 442.38 | Num_heavy_atoms: | 32 |
| TPSA: | 163.73 | NumAromaticRings: | 3 |
