Glycoside
GD141664
Name:
6-{[4,6-bis(benzyloxy)-2-[(benzyloxy)methyl]-5-acetamidooxan-3-yl]oxy}-2-phenyl-7-{[3,4,5-tris(benzyloxy)-6-methyloxan-2-yl]oxy}-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-8-yl benzoateFormula:
C76H79O16NSmiles:
CC(O)=NC1C(OCc2ccccc2)OC(COCc2ccccc2)C(OC2OC3COC(c4ccccc4)OC3C(OC(=O)c3ccccc3)C2OC2OC(C)C(OCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)C1OCc1ccccc1Aglycone:
COCc1ccccc1.O=C(OC1C(O)C(O)OC2COC(c3ccccc3)OC21)c1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
CC(O)=NC1OOC(CO)C(O)C1O.CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 12 |
| HBD: | 1 | FractionCSP3: | 0.34 |
| AlogP: | 12.41 | Num_rotatable_bonds: | 27 |
| MolWt: | 1262.46 | Num_heavy_atoms: | 93 |
| TPSA: | 178.88 | NumAromaticRings: | 8 |
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 |
AD57056
Formula: C20H20O7
Smiles:
O=C(OC1C(O)C(O)OC2COC(c3ccccc3)OC21)c1ccccc1| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.35 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 3 |
| MolWt: | 372.37 | Num_heavy_atoms: | 27 |
| TPSA: | 94.45 | NumAromaticRings: | 2 |
