Glycoside
GD122757
Name:
3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-7-methoxy-5-methyl-4H-chromen-4-oneFormula:
C29H34O16Smiles:
COc1cc(C)c2c(=O)c(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)c(-c3ccc(O)c(O)c3)oc2c1Aglycone:
COc1cc(C)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc2c1Sugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.48 |
| AlogP: | -1.81 | Num_rotatable_bonds: | 8 |
| MolWt: | 638.58 | Num_heavy_atoms: | 45 |
| TPSA: | 258.43 | NumAromaticRings: | 3 |
Unique Aglycone
AD49504
Formula: C17H14O6
Smiles:
COc1cc(C)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc2c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 2.89 | Num_rotatable_bonds: | 2 |
| MolWt: | 314.29 | Num_heavy_atoms: | 23 |
| TPSA: | 100.13 | NumAromaticRings: | 3 |
