Glycoside
GD150684
Name:
2-[(acetyloxy)methyl]-2-{[3,4-bis(acetyloxy)-6-[(acetyloxy)methyl]-5-hydroxyoxan-2-yl]oxy}-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoateFormula:
C30H38O18Smiles:
COc1cc(C=CC(=O)OC2C(O)C(CO)OC2(COC(C)=O)OC2OC(COC(C)=O)C(O)C(OC(C)=O)C2OC(C)=O)ccc1OAglycone:
COC(C)=O.COC(C)=O.COc1cc(C=CC(=O)O)ccc1OSugarmoiety:
CC(=O)OC1C(OC2(O)OC(CO)C(O)C2O)OC(O)C(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.57 |
| AlogP: | -1.13 | Num_rotatable_bonds: | 13 |
| MolWt: | 686.62 | Num_heavy_atoms: | 48 |
| TPSA: | 249.34 | 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 |
AD00175
Formula: C10H10O4
Smiles:
COc1cc(C=CC(=O)O)ccc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 3 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
