Glycoside
GD156104
Name:
2,5-bis[(acetyloxy)methyl]-2-{[3,5-bis(acetyloxy)-6-[(acetyloxy)methyl]-4-hydroxyoxan-2-yl]oxy}-4-hydroxyoxolan-3-yl 3-(3-hydroxyphenyl)prop-2-enoateFormula:
C31H38O18Smiles:
CC(=O)OCC1OC(COC(C)=O)(OC2OC(COC(C)=O)C(OC(C)=O)C(O)C2OC(C)=O)C(OC(=O)C=Cc2cccc(O)c2)C1OAglycone:
COC(C)=O.COC(C)=O.COC(C)=O.O=C(O)C=Cc1cccc(O)c1Sugarmoiety:
CC(=O)OC1C(O)OC(OC2(O)OC(O)C(O)C2O)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.55 |
| AlogP: | -0.57 | Num_rotatable_bonds: | 13 |
| MolWt: | 698.63 | Num_heavy_atoms: | 49 |
| TPSA: | 246.18 | NumAromaticRings: | 1 |
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 |
AD49966
Formula: C9H8O3
Smiles:
O=C(O)C=Cc1cccc(O)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 2 |
| MolWt: | 164.16 | Num_heavy_atoms: | 12 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
