Glycoside
GD135062
Name:
{3,4,5-trihydroxy-6-[3-methoxy-4-({3,4,5-trihydroxy-6-[(4-hydroxy-3-methoxybenzoyloxy)methyl]oxan-2-yl}oxy)phenoxy]oxan-2-yl}methyl 4-hydroxy-3,5-dimethoxybenzoateFormula:
C36H42O20Smiles:
COc1cc(C(=O)OCC2OC(Oc3ccc(OC4OC(COC(=O)c5cc(OC)c(O)c(OC)c5)C(O)C(O)C4O)cc3OC)C(O)C(O)C2O)ccc1OAglycone:
COC(=O)c1cc(OC)c(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: | 20 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.44 |
| AlogP: | -0.78 | Num_rotatable_bonds: | 14 |
| MolWt: | 794.71 | Num_heavy_atoms: | 56 |
| TPSA: | 288.28 | NumAromaticRings: | 3 |
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 |
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 |
