Glycoside
GD001364
Name:
NoneFormula:
C27H35O17N8PSmiles:
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-])cc1OAglycone:
COP(=O)(O)OC1(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CNC(=O)c2ccc(N=[N+]=[N-])cc2O)O1.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 4 |
| HBD: | 12 | FractionCSP3: | 0.52 |
| AlogP: | -3.19 | Num_rotatable_bonds: | 14 |
| MolWt: | 774.59 | Num_heavy_atoms: | 53 |
| TPSA: | 400.77 | 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 |
AD01388
Formula: C19H26O13N5P
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-])cc2O)O1| HBA: | 18 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.53 |
| AlogP: | -1.02 | Num_rotatable_bonds: | 11 |
| MolWt: | 563.41 | Num_heavy_atoms: | 38 |
| TPSA: | 290.17 | NumAromaticRings: | 1 |
