Glycoside
GD131098
Name:
2-(3,4-dihydroxyphenyl)-5-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7H-chromen-7-oneFormula:
C21H20O11Smiles:
O=c1cc2oc(-c3ccc(O)c(O)c3)c(OC3OC(CO)C(O)C(O)C3O)cc-2c(O)c1Aglycone:
O=c1cc2oc(-c3ccc(O)c(O)c3)c(O)cc-2c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.29 |
| AlogP: | -0.29 | Num_rotatable_bonds: | 4 |
| MolWt: | 448.38 | Num_heavy_atoms: | 32 |
| TPSA: | 190.28 | NumAromaticRings: | 1 |
Unique Aglycone
AD50077
Formula: C15H10O6
Smiles:
O=c1cc2oc(-c3ccc(O)c(O)c3)c(O)cc-2c(O)c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 2.23 | Num_rotatable_bonds: | 1 |
| MolWt: | 286.24 | Num_heavy_atoms: | 21 |
| TPSA: | 111.13 | NumAromaticRings: | 1 |
