Glycoside
GD121499
Name:
{3,4,5-trihydroxy-6-[3-hydroxy-4-(methoxycarbonyl)phenoxy]oxan-2-yl}methyl 3,4,5-trihydroxybenzoateFormula:
C21H22O13Smiles:
COC(=O)c1ccc(OC2OC(COC(=O)c3cc(O)c(O)c(O)c3)C(O)C(O)C2O)cc1OAglycone:
COC(=O)c1cc(O)c(O)c(O)c1.COC(=O)c1ccc(O)cc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.33 |
| AlogP: | -0.66 | Num_rotatable_bonds: | 6 |
| MolWt: | 482.39 | Num_heavy_atoms: | 34 |
| TPSA: | 212.67 | NumAromaticRings: | 2 |
Unique Aglycone
AD00121
Formula: C8H8O5
Smiles:
COC(=O)c1cc(O)c(O)c(O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 184.15 | Num_heavy_atoms: | 13 |
| TPSA: | 86.99 | NumAromaticRings: | 1 |
AD13868
Formula: C8H8O4
Smiles:
COC(=O)c1ccc(O)cc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 1 |
| MolWt: | 168.15 | Num_heavy_atoms: | 12 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
