Glycoside
GD141668
Name:
6-methoxy-3-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-7-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-4H-chromen-4-oneFormula:
C34H42O19Smiles:
COc1cc2c(=O)c(-c3ccc(OC4OC(CO)C(O)C(O)C4O)cc3)coc2cc1OC1OC(COC2OC(C)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
COc1cc2c(=O)c(-c3ccc(O)cc3)coc2cc1OSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.56 |
| AlogP: | -3.32 | Num_rotatable_bonds: | 10 |
| MolWt: | 754.69 | Num_heavy_atoms: | 53 |
| TPSA: | 297.12 | NumAromaticRings: | 3 |
Unique Aglycone
AD11999
Formula: C16H12O5
Smiles:
COc1cc2c(=O)c(-c3ccc(O)cc3)coc2cc1O| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.06 |
| AlogP: | 2.88 | Num_rotatable_bonds: | 2 |
| MolWt: | 284.27 | Num_heavy_atoms: | 21 |
| TPSA: | 79.9 | NumAromaticRings: | 3 |
