Glycoside
GD133639
Name:
2,3,5-tris(benzyloxy)-4-{[3,4,5-tris(benzyloxy)-6-[(benzyloxy)methyl]oxan-2-yl]oxy}-6-({[3,4,5-tris(benzyloxy)-6-[(benzyloxy)methyl]oxan-2-yl]oxy}methyl)oxaneFormula:
C95H98O16Smiles:
c1ccc(COCC2OC(OCC3OC(OCc4ccccc4)C(OCc4ccccc4)C(OC4OC(COCc5ccccc5)C(OCc5ccccc5)C(OCc5ccccc5)C4OCc4ccccc4)C3OCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)cc1Aglycone:
COCc1ccccc1.COCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
OCC1OC(OC2C(O)OOC(COC3OC(O)C(O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 14 |
| HBD: | 0 | FractionCSP3: | 0.31 |
| AlogP: | 16.9 | Num_rotatable_bonds: | 40 |
| MolWt: | 1495.81 | Num_heavy_atoms: | 111 |
| TPSA: | 147.68 | NumAromaticRings: | 11 |
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 |
