Glycoside
GD002945
Name:
NoneFormula:
C27H35O16N8PSmiles:
CC(=O)NC1C(O)CC(OP(=O)(O)OC[C@@H]2OC(n3ccc(N)nc3=O)[C@H](O)[C@H]2O)(C(=O)O)OC1[C@H](O)[C@H](O)CNC(=O)c1ccc(N=[N+]=[N-])cc1Aglycone:
COP(=O)(O)OC1(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CNC(=O)c2ccc(N=[N+]=[N-])cc2)O1.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 4 |
| HBD: | 11 | FractionCSP3: | 0.52 |
| AlogP: | -2.89 | Num_rotatable_bonds: | 14 |
| MolWt: | 758.59 | Num_heavy_atoms: | 52 |
| TPSA: | 380.54 | NumAromaticRings: | 2 |
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 |
AD02742
Formula: C19H26O12N5P
Smiles:
COP(=O)(O)OC1(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CNC(=O)c2ccc(N=[N+]=[N-])cc2)O1| HBA: | 17 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.53 |
| AlogP: | -0.72 | Num_rotatable_bonds: | 11 |
| MolWt: | 547.41 | Num_heavy_atoms: | 37 |
| TPSA: | 269.94 | NumAromaticRings: | 1 |
