Glycoside
GD145545
Name:
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6-methoxy-3-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4H-chromen-4-oneFormula:
C29H34O18Smiles:
COc1ccc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)cc1OAglycone:
COc1ccc(-c2oc3cc(O)c(OC)c(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: | 0.48 |
| AlogP: | -2.4 | Num_rotatable_bonds: | 9 |
| MolWt: | 670.57 | Num_heavy_atoms: | 47 |
| TPSA: | 287.89 | NumAromaticRings: | 3 |
Unique Aglycone
AD48391
Formula: C17H14O8
Smiles:
COc1ccc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2O)cc1O| 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 |
