Glycoside
GD128830
Name:
2-{4-[(4,5-dihydroxy-6-{[(4,5,6-trihydroxy-3-methyloxan-2-yl)oxy]methyl}-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl)oxy]phenyl}-5-hydroxy-7-methoxy-4H-chromen-4-oneFormula:
C34H42O18Smiles:
COc1cc(O)c2c(=O)cc(-c3ccc(OC4OC(COC5OC(O)C(O)C(O)C5C)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)cc3)oc2c1Aglycone:
COc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1Sugarmoiety:
CC1OC(OC2C(O)OC(COC3OC(O)C(O)C(O)C3C)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.56 |
| AlogP: | -1.74 | Num_rotatable_bonds: | 9 |
| MolWt: | 738.69 | Num_heavy_atoms: | 52 |
| TPSA: | 276.89 | NumAromaticRings: | 3 |
Unique Aglycone
AD05008
Formula: C16H12O5
Smiles:
COc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1| 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 |
