Glycoside
GD134784
Name:
N-(6-{2-[5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl}-2-{[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5-dihydroxyoxan-3-yl)-12-methyltridecanamideFormula:
C37H62O16N4Smiles:
CC(O)=NC1C(OC2OC(CC(O)C3OC(n4ccc(O)nc4=O)C(O)C3O)C(O)C(O)C2N=C(O)CCCCCCCCCCC(C)C)OC(CO)C(O)C1OAglycone:
CC(C)CCCCCCCCCCC(=N)O.O=c1nc(O)cc[nH]1Sugarmoiety:
CC(O)=NC1C(OC2OC(CC(O)C3OC(O)C(O)C3O)C(O)C(O)C2O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 4 |
| HBD: | 11 | FractionCSP3: | 0.84 |
| AlogP: | -0.55 | Num_rotatable_bonds: | 20 |
| MolWt: | 818.91 | Num_heavy_atoms: | 57 |
| TPSA: | 319.06 | NumAromaticRings: | 1 |
Unique Aglycone
AD15478
Formula: C4H4O2N2
Smiles:
O=c1nc(O)cc[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.52 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.98 | NumAromaticRings: | 1 |
AD54522
Formula: C14H29ON
Smiles:
CC(C)CCCCCCCCCCC(=N)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 5.08 | Num_rotatable_bonds: | 11 |
| MolWt: | 227.39 | Num_heavy_atoms: | 16 |
| TPSA: | 44.08 | NumAromaticRings: | 0 |
