Glycoside
GD156468
Name:
[3,4-dihydroxy-5-({3,4,5-trihydroxy-6-[4-(hydroxymethyl)-2,6-dimethoxyphenoxy]oxan-2-yl}methoxy)oxolan-3-yl]methyl 4-hydroxy-3,5-dimethoxybenzoateFormula:
C29H38O17Smiles:
COc1cc(C(=O)OCC2(O)COC(OCC3OC(Oc4c(OC)cc(CO)cc4OC)C(O)C(O)C3O)C2O)cc(OC)c1OAglycone:
COC(=O)c1cc(OC)c(O)c(OC)c1.COc1cc(CO)cc(OC)c1OSugarmoiety:
OC1OC(COC2OCC(O)(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.55 |
| AlogP: | -1.57 | Num_rotatable_bonds: | 13 |
| MolWt: | 658.61 | Num_heavy_atoms: | 46 |
| TPSA: | 241.75 | 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 |
AD01618
Formula: C9H12O4
Smiles:
COc1cc(CO)cc(OC)c1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 0.9 | Num_rotatable_bonds: | 3 |
| MolWt: | 184.19 | Num_heavy_atoms: | 13 |
| TPSA: | 58.92 | NumAromaticRings: | 1 |
