Glycoside
GD122631
Name:
4,5-bis(benzoyloxy)-6-[(benzoyloxy)methyl]-2-{[2,3,5-tris(benzyloxy)-6-({[3,4,5-tris(benzoyloxy)-6-[(benzoyloxy)methyl]oxan-2-yl]oxy}methyl)oxan-4-yl]oxy}oxan-3-yl benzoateFormula:
C95H82O24Smiles:
O=C(OCC1OC(OCC2OC(OCc3ccccc3)C(OCc3ccccc3)C(OC3OC(COC(=O)c4ccccc4)C(OC(=O)c4ccccc4)C(OC(=O)c4ccccc4)C3OC(=O)c3ccccc3)C2OCc2ccccc2)C(OC(=O)c2ccccc2)C(OC(=O)c2ccccc2)C1OC(=O)c1ccccc1)c1ccccc1Aglycone:
COC(=O)c1ccccc1.COC(=O)c1ccccc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
OC1OC(OCC2OC(O)C(O)C(OC3OC(O)C(O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 14 |
| HBD: | 0 | FractionCSP3: | 0.22 |
| AlogP: | 14.02 | Num_rotatable_bonds: | 32 |
| MolWt: | 1607.68 | Num_heavy_atoms: | 119 |
| TPSA: | 284.24 | NumAromaticRings: | 11 |
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 |
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 |
AD00480
Formula: C8H8O2
Smiles:
COC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
