Glycoside
GD139372
Name:
{3,4,5-trihydroxy-6-[2-methoxy-4-({3,4,5-trihydroxy-6-[(4-hydroxy-3-methoxybenzoyloxy)methyl]oxan-2-yl}oxy)phenoxy]oxan-2-yl}methyl 4-hydroxy-3-methoxybenzoateFormula:
C35H40O19Smiles:
COc1cc(C(=O)OCC2OC(Oc3ccc(OC4OC(COC(=O)c5ccc(O)c(OC)c5)C(O)C(O)C4O)c(OC)c3)C(O)C(O)C2O)ccc1OAglycone:
COC(=O)c1ccc(O)c(OC)c1.COC(=O)c1ccc(O)c(OC)c1.COc1cc(O)ccc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.43 |
| AlogP: | -0.79 | Num_rotatable_bonds: | 13 |
| MolWt: | 764.69 | Num_heavy_atoms: | 54 |
| TPSA: | 279.05 | NumAromaticRings: | 3 |
Unique Aglycone
AD00095
Formula: C9H10O4
Smiles:
COC(=O)c1ccc(O)c(OC)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 2 |
| MolWt: | 182.17 | Num_heavy_atoms: | 13 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
AD00096
Formula: C7H8O3
Smiles:
COc1cc(O)ccc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 1 |
| MolWt: | 140.14 | Num_heavy_atoms: | 10 |
| TPSA: | 49.69 | NumAromaticRings: | 1 |
