Glycoside
GD032947
Name:
NoneFormula:
C22H36O14N5PSmiles:
CC(=O)N[C@@H]1[C@H](O)C[C@@](CCP(=O)(O)OC[C@@H]2O[C@H](n3ccc(N)nc3=O)[C@H](O)[C@H]2O)(C(N)=O)O[C@H]1[C@H](O)[C@H](O)COAglycone:
COP(=O)(O)CCC1(C(N)=O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O1.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 3 |
| HBD: | 12 | FractionCSP3: | 0.73 |
| AlogP: | -5.37 | Num_rotatable_bonds: | 12 |
| MolWt: | 625.53 | Num_heavy_atoms: | 42 |
| TPSA: | 319.47 | NumAromaticRings: | 1 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
AD21065
Formula: C14H27O10N2P
Smiles:
COP(=O)(O)CCC1(C(N)=O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O1| HBA: | 12 | RingCount: | 1 |
| HBD: | 8 | FractionCSP3: | 0.86 |
| AlogP: | -3.2 | Num_rotatable_bonds: | 9 |
| MolWt: | 414.35 | Num_heavy_atoms: | 27 |
| TPSA: | 208.87 | NumAromaticRings: | 0 |
