Glycoside
GD157884
Name:
[3-(acetyloxy)-4-({3-[4-(acetyloxy)phenyl]prop-2-enoyl}oxy)-5-[({3-[4-(acetyloxy)phenyl]prop-2-enoyl}oxy)methyl]-5-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}oxolan-2-yl]methyl 3-[4-(acetyloxy)phenyl]prop-2-enoateFormula:
C55H56O25Smiles:
CC(=O)OCC1OC(OC2(COC(=O)C=Cc3ccc(OC(C)=O)cc3)OC(COC(=O)C=Cc3ccc(OC(C)=O)cc3)C(OC(C)=O)C2OC(=O)C=Cc2ccc(OC(C)=O)cc2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
CC(=O)Oc1ccc(C=CC(=O)O)cc1.COC(=O)C=Cc1ccc(OC(C)=O)cc1.COC(=O)C=Cc1ccc(OC(C)=O)cc1.COC(C)=OSugarmoiety:
CC(=O)OC1OC(CO)(OC2OC(O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)OC1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.36 |
| AlogP: | 4.03 | Num_rotatable_bonds: | 22 |
| MolWt: | 1117.03 | Num_heavy_atoms: | 80 |
| TPSA: | 316.99 | NumAromaticRings: | 3 |
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 |
AD07617
Formula: C11H10O4
Smiles:
CC(=O)Oc1ccc(C=CC(=O)O)cc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.09 |
| AlogP: | 1.71 | Num_rotatable_bonds: | 3 |
| MolWt: | 206.2 | Num_heavy_atoms: | 15 |
| TPSA: | 63.6 | NumAromaticRings: | 1 |
AD07618
Formula: C12H12O4
Smiles:
COC(=O)C=Cc1ccc(OC(C)=O)cc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.17 |
| AlogP: | 1.8 | Num_rotatable_bonds: | 3 |
| MolWt: | 220.22 | Num_heavy_atoms: | 16 |
| TPSA: | 52.6 | NumAromaticRings: | 1 |
