Glycoside
GD152338
Name:
(3,4,5-trihydroxy-6-{3-hydroxy-2-[4-(3-hydroxypropyl)-2-methoxyphenoxy]propoxy}oxan-2-yl)methyl 2-(4-hydroxyphenyl)acetateFormula:
C27H36O12Smiles:
COc1cc(CCCO)ccc1OC(CO)COC1OC(COC(=O)Cc2ccc(O)cc2)C(O)C(O)C1OAglycone:
COC(=O)Cc1ccc(O)cc1.COc1cc(CCCO)ccc1OC(CO)COSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.52 |
| AlogP: | -0.32 | Num_rotatable_bonds: | 14 |
| MolWt: | 552.57 | Num_heavy_atoms: | 39 |
| TPSA: | 184.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD02427
Formula: C9H10O3
Smiles:
COC(=O)Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 2 |
| MolWt: | 166.18 | Num_heavy_atoms: | 12 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD54001
Formula: C13H20O5
Smiles:
COc1cc(CCCO)ccc1OC(CO)CO| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.54 |
| AlogP: | 0.35 | Num_rotatable_bonds: | 8 |
| MolWt: | 256.3 | Num_heavy_atoms: | 18 |
| TPSA: | 79.15 | NumAromaticRings: | 1 |
