Glycoside
GD135227
Name:
4-(2-aminopropanamido)-N-[1-(5-{[3,4-dihydroxy-6-methyl-5-(methylamino)oxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl)-2-hydroxy-1,4-dihydropyrimidin-4-ylidene]benzamideFormula:
C27H38O9N6Smiles:
CNC1C(C)OC(OC2C(O)CC(n3ccc(=NC(=O)c4ccc(NC(=O)C(C)N)cc4)nc3O)OC2C)C(O)C1OAglycone:
CC(N)C(=O)Nc1ccc(C(=O)N=c2ccn(C3CC(O)C(O)C(C)O3)c(O)n2)cc1Sugarmoiety:
CNC1C(C)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.56 |
| AlogP: | -1.28 | Num_rotatable_bonds: | 7 |
| MolWt: | 590.63 | Num_heavy_atoms: | 42 |
| TPSA: | 223.01 | NumAromaticRings: | 2 |
Unique Aglycone
AD54683
Formula: C20H25O6N5
Smiles:
CC(N)C(=O)Nc1ccc(C(=O)N=c2ccn(C3CC(O)C(O)C(C)O3)c(O)n2)cc1| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.4 |
| AlogP: | -0.36 | Num_rotatable_bonds: | 4 |
| MolWt: | 431.45 | Num_heavy_atoms: | 31 |
| TPSA: | 172.29 | NumAromaticRings: | 2 |
