Glycoside
GD127685
Name:
N-[2,4-bis(benzyloxy)-5-{[3-(benzyloxy)-6-[(benzyloxy)methyl]-5-hydroxy-4-{[3,4,5-tris(benzyloxy)-6-[(benzyloxy)methyl]oxan-2-yl]oxy}oxan-2-yl]oxy}-6-[(benzyloxy)methyl]oxan-3-yl]acetamideFormula:
C83H89O16NSmiles:
CC(O)=NC1C(OCc2ccccc2)OC(COCc2ccccc2)C(OC2OC(COCc3ccccc3)C(O)C(OC3OC(COCc4ccccc4)C(OCc4ccccc4)C(OCc4ccccc4)C3OCc3ccccc3)C2OCc2ccccc2)C1OCc1ccccc1Aglycone:
COCc1ccccc1.COCc1ccccc1.COCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
CC(O)=NC1OOC(O)C(OC2OC(O)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 12 |
| HBD: | 2 | FractionCSP3: | 0.34 |
| AlogP: | 13.43 | Num_rotatable_bonds: | 35 |
| MolWt: | 1356.62 | Num_heavy_atoms: | 100 |
| TPSA: | 182.04 | 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 |
