Glycoside
GD137183
Name:
5-(benzyloxy)-2-[(benzyloxy)methyl]-6-{[4,6-bis(benzyloxy)-2-[(benzyloxy)methyl]-5-acetamidooxan-3-yl]oxy}-4-{[3,4,5-tris(benzyloxy)-6-[(benzyloxy)methyl]oxan-2-yl]oxy}oxan-3-yl acetateFormula:
C85H91O17NSmiles:
CC(=O)OC1C(COCc2ccccc2)OC(OC2C(COCc3ccccc3)OC(OCc3ccccc3)C(N=C(C)O)C2OCc2ccccc2)C(OCc2ccccc2)C1OC1OC(COCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1Aglycone:
COCc1ccccc1.COCc1ccccc1.COCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
CC(=O)OC1C(O)OC(OC2C(O)OOC(N=C(C)O)C2O)C(O)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 12 |
| HBD: | 1 | FractionCSP3: | 0.34 |
| AlogP: | 14.0 | Num_rotatable_bonds: | 36 |
| MolWt: | 1398.65 | Num_heavy_atoms: | 103 |
| TPSA: | 188.11 | NumAromaticRings: | 9 |
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 |
