Glycoside
GD121672
Name:
N-(2-{[4-(benzyloxy)-6-[(benzyloxy)methyl]-5-{[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-methoxyoxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)acetamideFormula:
C37H52O16N2Smiles:
COC1OC(COCc2ccccc2)C(OC2OC(CO)C(O)C(O)C2N=C(C)O)C(OCc2ccccc2)C1OC1OC(CO)C(O)C(O)C1N=C(C)OAglycone:
COCc1ccccc1.OCc1ccccc1Sugarmoiety:
COC1OC(O)C(OC2OC(CO)C(O)C(O)C2N=C(C)O)C(O)C1OC1OC(CO)C(O)C(O)C1N=C(C)OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.62 |
| AlogP: | -0.5 | Num_rotatable_bonds: | 16 |
| MolWt: | 780.82 | Num_heavy_atoms: | 55 |
| TPSA: | 260.4 | NumAromaticRings: | 2 |
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 |
