Glycoside
GD133748
Name:
4,5-bis(benzyloxy)-3-{[4,5-bis(benzyloxy)-6-[(benzyloxy)methyl]-3-{[3,4,5-tris(benzyloxy)-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}oxan-2-olFormula:
C73H78O14Smiles:
CC1OC(OC2C(OC3C(O)OCC(OCc4ccccc4)C3OCc3ccccc3)OC(COCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1Aglycone:
COCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
CC1OC(OC2C(OC3C(O)OCOC3O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 11 |
| HBD: | 1 | FractionCSP3: | 0.34 |
| AlogP: | 11.89 | Num_rotatable_bonds: | 29 |
| MolWt: | 1179.41 | Num_heavy_atoms: | 87 |
| TPSA: | 140.22 | NumAromaticRings: | 8 |
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 |
