Glycoside
GD115922
Name:
N-(2-{[4,5-bis(benzyloxy)-6-[(benzyloxy)methyl]-2-methoxyoxan-3-yl]oxy}-5-{[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)oxan-3-yl)acetamideFormula:
C44H58O16N2Smiles:
COC1OC(COCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2N=C(C)O)C(O)C1N=C(C)OAglycone:
COCc1ccccc1.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
COC1OC(O)C(O)C(O)C1OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2N=C(C)O)C(O)C1N=C(C)OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.55 |
| AlogP: | 1.72 | Num_rotatable_bonds: | 19 |
| MolWt: | 870.95 | Num_heavy_atoms: | 62 |
| TPSA: | 249.4 | NumAromaticRings: | 3 |
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 |
