Glycoside
GD141186
Name:
methyl 3,4,5-tris(acetyloxy)-6-{[5-(benzyloxy)-6-[(benzyloxy)methyl]-2-methoxy-4-{[3,4,5-tris(benzyloxy)-6-[(benzyloxy)methyl]oxan-2-yl]oxy}oxan-3-yl]oxy}oxane-2-carboxylateFormula:
C68H76O20Smiles:
COC(=O)C1OC(OC2C(OC)OC(COCc3ccccc3)C(OCc3ccccc3)C2OC2OC(COCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
COCc1ccccc1.COCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
COC(=O)C1OC(OC2C(OC)OC(O)OC2OC2OC(CO)C(O)C(O)C2O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 9 |
| HBD: | 0 | FractionCSP3: | 0.41 |
| AlogP: | 8.32 | Num_rotatable_bonds: | 29 |
| MolWt: | 1213.34 | Num_heavy_atoms: | 88 |
| TPSA: | 215.96 | NumAromaticRings: | 6 |
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 |
