Glycoside
GD146423
Name:
3-(acetyloxy)-2-[3,4-bis(acetyloxy)phenyl]-7-{[3,4,5-tris(acetyloxy)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-5-yl acetateFormula:
C34H36O17Smiles:
CC(=O)Oc1ccc(C2Oc3cc(OC4OCC(OC(C)=O)C(OC(C)=O)C4OC(C)=O)cc(OC(C)=O)c3CC2OC(C)=O)cc1OC(C)=OAglycone:
CC(=O)Oc1ccc(C2Oc3cc(O)cc(OC(C)=O)c3CC2OC(C)=O)cc1OC(C)=OSugarmoiety:
CC(=O)OC1COC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.44 |
| AlogP: | 2.6 | Num_rotatable_bonds: | 10 |
| MolWt: | 716.65 | Num_heavy_atoms: | 51 |
| TPSA: | 211.79 | NumAromaticRings: | 2 |
Unique Aglycone
AD58717
Formula: C23H22O10
Smiles:
CC(=O)Oc1ccc(C2Oc3cc(O)cc(OC(C)=O)c3CC2OC(C)=O)cc1OC(C)=O| HBA: | 10 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 2.78 | Num_rotatable_bonds: | 5 |
| MolWt: | 458.42 | Num_heavy_atoms: | 33 |
| TPSA: | 134.66 | NumAromaticRings: | 2 |
