Glycoside
GD122124
Name:
[3,4-dihydroxy-5-({3,4,5-trihydroxy-6-[4-(hydroxymethyl)-2-methoxyphenoxy]oxan-2-yl}methoxy)oxolan-3-yl]methyl 4-hydroxybenzoateFormula:
C26H32O14Smiles:
COc1cc(CO)ccc1OC1OC(COC2OCC(O)(COC(=O)c3ccc(O)cc3)C2O)C(O)C(O)C1OAglycone:
COC(=O)c1ccc(O)cc1.COc1cc(CO)ccc1OSugarmoiety:
OC1OC(COC2OCC(O)(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -1.6 | Num_rotatable_bonds: | 10 |
| MolWt: | 568.53 | Num_heavy_atoms: | 40 |
| TPSA: | 214.06 | NumAromaticRings: | 2 |
Unique Aglycone
AD00517
Formula: C8H8O3
Smiles:
COC(=O)c1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 152.15 | Num_heavy_atoms: | 11 |
| TPSA: | 46.53 | 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 |
