Glycoside
GD109016
Name:
3,4,5-tris(acetyloxy)-6-{[6-(acetyloxy)-5-hydroxy-4-oxo-2-phenyl-4H-chromen-7-yl]oxy}oxane-2-carboxylic acidFormula:
C29H26O15Smiles:
CC(=O)Oc1c(O[C@H]2O[C@@H](C(=O)O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)cc2oc(-c3ccccc3)cc(=O)c2c1OAglycone:
CC(=O)Oc1c(O)cc2oc(-c3ccccc3)cc(=O)c2c1OSugarmoiety:
CC(=O)OC1C(O)OC(C(=O)O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.31 |
| AlogP: | 2.07 | Num_rotatable_bonds: | 8 |
| MolWt: | 614.51 | Num_heavy_atoms: | 44 |
| TPSA: | 211.4 | NumAromaticRings: | 3 |
Unique Aglycone
AD44510
Formula: C17H12O6
Smiles:
CC(=O)Oc1c(O)cc2oc(-c3ccccc3)cc(=O)c2c1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.06 |
| AlogP: | 2.8 | Num_rotatable_bonds: | 2 |
| MolWt: | 312.28 | Num_heavy_atoms: | 23 |
| TPSA: | 96.97 | NumAromaticRings: | 3 |
