Glycoside
GD147570
Name:
[3,4,5-tris(acetyloxy)-6-{2-[3,4-bis(acetyloxy)phenyl]ethoxy}oxan-2-yl]methyl 3-[4-(acetyloxy)-3-methoxyphenyl]prop-2-enoateFormula:
C36H40O17Smiles:
COc1cc(C=CC(=O)OCC2OC(OCCc3ccc(OC(C)=O)c(OC(C)=O)c3)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)ccc1OC(C)=OAglycone:
CC(=O)Oc1ccc(CCO)cc1OC(C)=O.COC(=O)C=Cc1ccc(OC(C)=O)c(OC)c1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.42 |
| AlogP: | 2.81 | Num_rotatable_bonds: | 15 |
| MolWt: | 744.7 | Num_heavy_atoms: | 53 |
| TPSA: | 211.79 | NumAromaticRings: | 2 |
Unique Aglycone
AD08886
Formula: C13H14O5
Smiles:
COC(=O)C=Cc1ccc(OC(C)=O)c(OC)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.23 |
| AlogP: | 1.81 | Num_rotatable_bonds: | 4 |
| MolWt: | 250.25 | Num_heavy_atoms: | 18 |
| TPSA: | 61.83 | NumAromaticRings: | 1 |
AD12286
Formula: C12H14O5
Smiles:
CC(=O)Oc1ccc(CCO)cc1OC(C)=O| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 1.07 | Num_rotatable_bonds: | 4 |
| MolWt: | 238.24 | Num_heavy_atoms: | 17 |
| TPSA: | 72.83 | NumAromaticRings: | 1 |
