Glycoside
GD121108
Name:
[3,4,5-tris(acetyloxy)-6-{[4,6-bis(benzyloxy)-5-{[3,4,5-tris(benzyloxy)-6-methyloxan-2-yl]oxy}oxan-3-yl]oxy}oxan-2-yl]methyl acetateFormula:
C60H68O18Smiles:
CC(=O)OCC1OC(OC2COC(OCc3ccccc3)C(OC3OC(C)C(OCc4ccccc4)C(OCc4ccccc4)C3OCc3ccccc3)C2OCc2ccccc2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
COC(C)=O.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
CC(=O)OC1C(O)OC(OC2COC(O)C(OC3OC(C)C(O)C(O)C3O)C2O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 8 |
| HBD: | 0 | FractionCSP3: | 0.43 |
| AlogP: | 7.5 | Num_rotatable_bonds: | 24 |
| MolWt: | 1077.19 | Num_heavy_atoms: | 78 |
| TPSA: | 197.5 | NumAromaticRings: | 5 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
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 |
