Glycoside
GD125548
Name:
4,5-bis(benzyloxy)-2-{[4-(benzyloxy)-2-[(benzyloxy)methyl]-5-hydroxy-6-methoxyoxan-3-yl]oxy}-6-[(benzyloxy)methyl]oxan-3-olFormula:
C48H54O11Smiles:
COC1OC(COCc2ccccc2)C(OC2OC(COCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2O)C(OCc2ccccc2)C1OAglycone:
COCc1ccccc1.COCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
COC1OC(O)C(OC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.38 |
| AlogP: | 6.38 | Num_rotatable_bonds: | 20 |
| MolWt: | 806.95 | Num_heavy_atoms: | 59 |
| TPSA: | 123.53 | NumAromaticRings: | 5 |
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 |
