Glycoside
GD123611
Name:
5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 3-({3-[(3,4-dihydroxy-5-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxolan-2-yl)oxy]-4,5-dihydroxyoxan-2-yl}oxy)-4,5-dihydroxybenzoateFormula:
C37H38O21Smiles:
O=C(Oc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1)c1cc(O)c(O)c(OC2OCC(O)C(O)C2OC2OC(COC3OCC(O)C(O)C3O)C(O)C2O)c1Aglycone:
O=C(Oc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1)c1cc(O)c(O)c(O)c1Sugarmoiety:
OC1COC(OCC2OC(OC3C(O)OCC(O)C3O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 7 |
| HBD: | 11 | FractionCSP3: | 0.41 |
| AlogP: | -1.75 | Num_rotatable_bonds: | 10 |
| MolWt: | 818.69 | Num_heavy_atoms: | 58 |
| TPSA: | 334.42 | NumAromaticRings: | 4 |
Unique Aglycone
AD49900
Formula: C22H14O9
Smiles:
O=C(Oc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1)c1cc(O)c(O)c(O)c1| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | 3.21 | Num_rotatable_bonds: | 3 |
| MolWt: | 422.35 | Num_heavy_atoms: | 31 |
| TPSA: | 157.66 | NumAromaticRings: | 4 |
