Glycoside
GD148098
Name:
[3,4-dihydroxy-5-({3,4,5-trihydroxy-6-[4-(hydroxymethyl)-2-methoxyphenoxy]oxan-2-yl}methoxy)oxolan-3-yl]methyl 4-methoxybenzoateFormula:
C27H34O14Smiles:
COc1ccc(C(=O)OCC2(O)COC(OCC3OC(Oc4ccc(CO)cc4OC)C(O)C(O)C3O)C2O)cc1Aglycone:
COC(=O)c1ccc(OC)cc1.COc1cc(CO)ccc1OSugarmoiety:
OC1OC(COC2OCC(O)(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.52 |
| AlogP: | -1.3 | Num_rotatable_bonds: | 11 |
| MolWt: | 582.56 | Num_heavy_atoms: | 41 |
| TPSA: | 203.06 | NumAromaticRings: | 2 |
Unique Aglycone
AD02530
Formula: C9H10O3
Smiles:
COC(=O)c1ccc(OC)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.22 |
| AlogP: | 1.48 | Num_rotatable_bonds: | 2 |
| MolWt: | 166.18 | Num_heavy_atoms: | 12 |
| TPSA: | 35.53 | NumAromaticRings: | 1 |
AD02836
Formula: C8H10O3
Smiles:
COc1cc(CO)ccc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 0.89 | Num_rotatable_bonds: | 2 |
| MolWt: | 154.16 | Num_heavy_atoms: | 11 |
| TPSA: | 49.69 | NumAromaticRings: | 1 |
