Glycoside
GD154672
Name:
[3,5-bis(acetyloxy)-6-{[2-(3,4-dihydroxyphenyl)-8-hydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-4-hydroxyoxan-2-yl]methyl acetateFormula:
C27H28O14Smiles:
CC(=O)OCC1OC(Oc2ccc3c(c2O)OC(c2ccc(O)c(O)c2)CC3=O)C(OC(C)=O)C(O)C1OC(C)=OAglycone:
COC(C)=O.O=C1CC(c2ccc(O)c(O)c2)Oc2c1ccc(O)c2OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.41 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 7 |
| MolWt: | 576.51 | Num_heavy_atoms: | 41 |
| TPSA: | 204.58 | 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 |
AD05557
Formula: C15H12O6
Smiles:
O=C1CC(c2ccc(O)c(O)c2)Oc2c1ccc(O)c2O| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.13 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 1 |
| MolWt: | 288.25 | Num_heavy_atoms: | 21 |
| TPSA: | 107.22 | NumAromaticRings: | 2 |
