Glycoside
GD128911
Name:
[4-({6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-3,5-dihydroxyphenyl]methyl 3,4,5-trihydroxybenzoateFormula:
C22H24O14Smiles:
CC(=O)OCC1OC(Oc2c(O)cc(COC(=O)c3cc(O)c(O)c(O)c3)cc2O)C(O)C(O)C1OAglycone:
COC(C)=O.O=C(OCc1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.36 |
| AlogP: | -0.68 | Num_rotatable_bonds: | 7 |
| MolWt: | 512.42 | Num_heavy_atoms: | 36 |
| TPSA: | 232.9 | 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 |
AD50341
Formula: C14H12O8
Smiles:
O=C(OCc1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1| HBA: | 8 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.07 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 3 |
| MolWt: | 308.24 | Num_heavy_atoms: | 22 |
| TPSA: | 147.68 | NumAromaticRings: | 2 |
