Glycoside
GD122510
Name:
4-(5,7-dihydroxy-4-oxo-3-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4H-chromen-2-yl)-2-hydroxyphenyl acetateFormula:
C29H32O18Smiles:
CC(=O)Oc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)cc1OAglycone:
CC(=O)Oc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1OSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.45 |
| AlogP: | -2.49 | Num_rotatable_bonds: | 8 |
| MolWt: | 668.56 | Num_heavy_atoms: | 47 |
| TPSA: | 295.73 | NumAromaticRings: | 3 |
Unique Aglycone
AD49377
Formula: C17H12O8
Smiles:
CC(=O)Oc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.06 |
| AlogP: | 2.21 | Num_rotatable_bonds: | 2 |
| MolWt: | 344.28 | Num_heavy_atoms: | 25 |
| TPSA: | 137.43 | NumAromaticRings: | 3 |
