Glycoside
GD142017
Name:
{3,4,5-trihydroxy-6-[(4-oxo-4H-pyran-3-yl)oxy]oxan-2-yl}methyl 4-hydroxy-3,5-dimethoxybenzoateFormula:
C20H22O12Smiles:
COc1cc(C(=O)OCC2OC(Oc3coccc3=O)C(O)C(O)C2O)cc(OC)c1OAglycone:
COC(=O)c1cc(OC)c(O)c(OC)c1.O=c1ccocc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | -0.59 | Num_rotatable_bonds: | 7 |
| MolWt: | 454.38 | Num_heavy_atoms: | 32 |
| TPSA: | 174.35 | NumAromaticRings: | 2 |
Unique Aglycone
AD00094
Formula: C10H12O5
Smiles:
COC(=O)c1cc(OC)c(O)c(OC)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 3 |
| MolWt: | 212.2 | Num_heavy_atoms: | 15 |
| TPSA: | 64.99 | NumAromaticRings: | 1 |
AD24873
Formula: C5H4O3
Smiles:
O=c1ccocc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 0.35 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.08 | Num_heavy_atoms: | 8 |
| TPSA: | 50.44 | NumAromaticRings: | 1 |
