Glycoside
GD136327
Name:
methyl 2-{[3-(benzyloxy)-2-[(benzyloxy)methyl]-5-hydroxy-6-{[4,5,6-tris(benzyloxy)-2-[(benzyloxy)methyl]oxan-3-yl]oxy}oxan-4-yl]oxy}-5-acetamido-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylateFormula:
C66H77O19NSmiles:
COC(=O)C1(OC2C(O)C(OC3C(COCc4ccccc4)OC(OCc4ccccc4)C(OCc4ccccc4)C3OCc3ccccc3)OC(COCc3ccccc3)C2OCc2ccccc2)CC(O)C(N=C(C)O)C(C(O)C(O)CO)O1Aglycone:
COC(=O)C1(O)CC(O)C(N=C(C)O)C(C(O)C(O)CO)O1.COCc1ccccc1.COCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
OCC1OC(OC2C(O)OOC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 9 |
| HBD: | 6 | FractionCSP3: | 0.42 |
| AlogP: | 6.05 | Num_rotatable_bonds: | 29 |
| MolWt: | 1188.33 | Num_heavy_atoms: | 86 |
| TPSA: | 261.57 | 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 |
AD55102
Formula: C12H21O9N
Smiles:
COC(=O)C1(O)CC(O)C(N=C(C)O)C(C(O)C(O)CO)O1| HBA: | 10 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.83 |
| AlogP: | -2.94 | Num_rotatable_bonds: | 5 |
| MolWt: | 323.3 | Num_heavy_atoms: | 22 |
| TPSA: | 169.27 | NumAromaticRings: | 0 |
