Glycoside
GD155269
Name:
5-(benzyloxy)-4-{[5-(benzyloxy)-3-hydroxy-6-methyl-4-{[3,4,5-tris(benzyloxy)-6-[(benzyloxy)methyl]oxan-2-yl]oxy}oxan-2-yl]oxy}-2-methoxy-6-methyloxan-3-yl benzoateFormula:
C68H74O15Smiles:
COC1OC(C)C(OCc2ccccc2)C(OC2OC(C)C(OCc3ccccc3)C(OC3OC(COCc4ccccc4)C(OCc4ccccc4)C(OCc4ccccc4)C3OCc3ccccc3)C2O)C1OC(=O)c1ccccc1Aglycone:
COCc1ccccc1.O=C(O)c1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
COC1OC(C)OC(OC2OC(C)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 10 |
| HBD: | 1 | FractionCSP3: | 0.37 |
| AlogP: | 10.35 | Num_rotatable_bonds: | 26 |
| MolWt: | 1131.33 | Num_heavy_atoms: | 83 |
| TPSA: | 157.29 | NumAromaticRings: | 7 |
Unique Aglycone
AD00002
Formula: C7H6O2
Smiles:
O=C(O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.12 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
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 |
