Glycoside
GD123866
Name:
4,4,11,11-tetramethyl-6-({[3,4,5-tris(benzyloxy)-6-[(benzyloxy)methyl]oxan-2-yl]oxy}methyl)-3,5,7,10,12-pentaoxatricyclo[7.3.0.0²,â¶]dodecaneFormula:
C46H54O11Smiles:
CC1(C)OC2COC3(COC4OC(COCc5ccccc5)C(OCc5ccccc5)C(OCc5ccccc5)C4OCc4ccccc4)OC(C)(C)OC3C2O1Aglycone:
CC1(C)OC2COC3(CO)OC(C)(C)OC3C2O1.COCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 8 |
| HBD: | 0 | FractionCSP3: | 0.48 |
| AlogP: | 7.1 | Num_rotatable_bonds: | 16 |
| MolWt: | 782.93 | Num_heavy_atoms: | 57 |
| TPSA: | 101.53 | NumAromaticRings: | 4 |
Unique Aglycone
AD00042
Formula: C8H10O
Smiles:
COCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 2 |
| MolWt: | 122.17 | Num_heavy_atoms: | 9 |
| TPSA: | 9.23 | NumAromaticRings: | 1 |
AD00044
Formula: C7H8O
Smiles:
OCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD50013
Formula: C12H20O6
Smiles:
CC1(C)OC2COC3(CO)OC(C)(C)OC3C2O1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 0.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 260.29 | Num_heavy_atoms: | 18 |
| TPSA: | 66.38 | NumAromaticRings: | 0 |
