Glycoside
GD147646
Name:
2-[7-(acetyloxy)-2-(2-{[3,4-bis(acetyloxy)-6-[(acetyloxy)methyl]-5-methoxyoxan-2-yl]oxy}-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl]ethyl acetateFormula:
C35H42O15Smiles:
COc1ccc(C2CCc3ccc(OC(C)=O)c(CCOC(C)=O)c3O2)c(OC2OC(COC(C)=O)C(OC)C(OC(C)=O)C2OC(C)=O)c1Aglycone:
COC(C)=O.COc1ccc(C2CCc3ccc(OC(C)=O)c(CCOC(C)=O)c3O2)c(O)c1Sugarmoiety:
COC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.51 |
| AlogP: | 3.34 | Num_rotatable_bonds: | 13 |
| MolWt: | 702.71 | Num_heavy_atoms: | 50 |
| TPSA: | 177.65 | NumAromaticRings: | 2 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD59120
Formula: C22H24O7
Smiles:
COc1ccc(C2CCc3ccc(OC(C)=O)c(CCOC(C)=O)c3O2)c(O)c1| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.36 |
| AlogP: | 3.5 | Num_rotatable_bonds: | 6 |
| MolWt: | 400.43 | Num_heavy_atoms: | 29 |
| TPSA: | 91.29 | NumAromaticRings: | 2 |
