Glycoside
GD000960
Name:
NoneFormula:
C27H35O17N8PSmiles:
[N-]=[N+]=Nc1ccc(C(=O)NCC(=O)NC2C(O)CC(OP(=O)(O)OC[C@@H]3OC(n4ccc(N)nc4=O)[C@H](O)[C@H]3O)(C(=O)O)OC2[C@H](O)[C@H](O)CO)cc1Aglycone:
COP(=O)(O)OC1(C(=O)O)CC(O)C(NC(=O)CNC(=O)c2ccc(N=[N+]=[N-])cc2)C(C(O)C(O)CO)O1.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 4 |
| HBD: | 12 | FractionCSP3: | 0.52 |
| AlogP: | -3.92 | Num_rotatable_bonds: | 15 |
| 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 |
AD01002
Formula: C19H26O13N5P
Smiles:
COP(=O)(O)OC1(C(=O)O)CC(O)C(NC(=O)CNC(=O)c2ccc(N=[N+]=[N-])cc2)C(C(O)C(O)CO)O1| HBA: | 18 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.53 |
| AlogP: | -1.75 | Num_rotatable_bonds: | 12 |
| MolWt: | 563.41 | Num_heavy_atoms: | 38 |
| TPSA: | 290.17 | NumAromaticRings: | 1 |
