Glycoside
GD141904
Name:
6,8-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-4H-chromen-4-oneFormula:
C29H34O17Smiles:
COc1cc(-c2oc3c(O)cc(O)cc3c(=O)c2OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)cc(OC)c1OAglycone:
COc1cc(-c2oc3c(O)cc(O)cc3c(=O)c2O)cc(OC)c1OSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.48 |
| AlogP: | -1.38 | Num_rotatable_bonds: | 8 |
| MolWt: | 654.57 | Num_heavy_atoms: | 46 |
| TPSA: | 267.66 | NumAromaticRings: | 3 |
Unique Aglycone
AD57130
Formula: C17H14O8
Smiles:
COc1cc(-c2oc3c(O)cc(O)cc3c(=O)c2O)cc(OC)c1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.12 |
| AlogP: | 2.3 | Num_rotatable_bonds: | 3 |
| MolWt: | 346.29 | Num_heavy_atoms: | 25 |
| TPSA: | 129.59 | NumAromaticRings: | 3 |
