Glycoside
GD114346
Name:
2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-3-methoxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-oneFormula:
C22H22O13Smiles:
COc1c(-c2ccc(O)c(O)c2)oc2cc(OC3OC(CO)C(O)C(O)C3O)c(O)c(O)c2c1=OAglycone:
COc1c(-c2ccc(O)c(O)c2)oc2cc(O)c(O)c(O)c2c1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.32 |
| AlogP: | -0.53 | Num_rotatable_bonds: | 5 |
| MolWt: | 494.41 | Num_heavy_atoms: | 35 |
| TPSA: | 219.74 | NumAromaticRings: | 3 |
Unique Aglycone
AD45001
Formula: C16H12O8
Smiles:
COc1c(-c2ccc(O)c(O)c2)oc2cc(O)c(O)c(O)c2c1=O| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.06 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 2 |
| MolWt: | 332.26 | Num_heavy_atoms: | 24 |
| TPSA: | 140.59 | NumAromaticRings: | 3 |
