Glycoside
GD121871
Name:
5-hydroxy-6-methoxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-(4-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}phenyl)-4H-chromen-4-oneFormula:
C34H42O21Smiles:
COc1c(OC2OC(CO)C(O)C(O)C2O)cc2occ(-c3ccc(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)cc3)c(=O)c2c1OAglycone:
COc1c(O)cc2occ(-c3ccc(O)cc3)c(=O)c2c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.56 |
| AlogP: | -4.64 | Num_rotatable_bonds: | 11 |
| MolWt: | 786.69 | Num_heavy_atoms: | 55 |
| TPSA: | 337.58 | NumAromaticRings: | 3 |
Unique Aglycone
AD14621
Formula: C16H12O6
Smiles:
COc1c(O)cc2occ(-c3ccc(O)cc3)c(=O)c2c1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 2 |
| MolWt: | 300.27 | Num_heavy_atoms: | 22 |
| TPSA: | 100.13 | NumAromaticRings: | 3 |
