Glycoside
GD038306
Name:
5'-o-[(r)-hydroxy{[(7beta,8alpha,9beta,10alpha,11beta,13alpha)-7-hydroxy-19-oxo-11,16-epoxykauran-19-yl]oxy}phosphoryl]adenosineFormula:
C30H42O10N5PSmiles:
C[C@]12C[C@@]34C[C@H]1C[C@H](O2)[C@H]3[C@]1(C)CCC[C@](C)(C(=O)OP(=O)(O)OC[C@H]2O[C@H](n3cnc5c(N)ncnc53)[C@H](O)[C@@H]2O)[C@H]1C[C@H]4OAglycone:
COP(=O)(O)OC(=O)C1(C)CCCC2(C)C1CC(O)C13CC4CC(OC4(C)C1)C23.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 9 |
| HBD: | 6 | FractionCSP3: | 0.8 |
| AlogP: | 1.84 | Num_rotatable_bonds: | 6 |
| MolWt: | 663.67 | Num_heavy_atoms: | 46 |
| TPSA: | 221.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD23957
Formula: C21H33O7P
Smiles:
COP(=O)(O)OC(=O)C1(C)CCCC2(C)C1CC(O)C13CC4CC(OC4(C)C1)C23| HBA: | 7 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.95 |
| AlogP: | 3.43 | Num_rotatable_bonds: | 3 |
| MolWt: | 428.46 | Num_heavy_atoms: | 29 |
| TPSA: | 102.29 | NumAromaticRings: | 0 |
