Glycoside
GD015551
Name:
NoneFormula:
C17H26O17N6P2Smiles:
[N-]=[N+]=NCC(=O)N[C@@H]1[C@H](OP(=O)(O)OP(=O)(O)OC[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)O[C@H](CO)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)OP(=O)(O)O.O=c1cc[nH]c(=O)[nH]1.[N-]=[N+]=NCC(N)=OSugarmoiety:
OCC1OC(O)C(O)C1O.OCC1OOC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.71 |
| AlogP: | -4.36 | Num_rotatable_bonds: | 12 |
| MolWt: | 648.37 | Num_heavy_atoms: | 42 |
| TPSA: | 354.62 | NumAromaticRings: | 1 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD00305
Formula: CH6O7P2
Smiles:
COP(=O)(O)OP(=O)(O)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 192.0 | Num_heavy_atoms: | 10 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
AD11291
Formula: C2H4ON4
Smiles:
[N-]=[N+]=NCC(N)=O| HBA: | 5 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | -0.22 | Num_rotatable_bonds: | 2 |
| MolWt: | 100.08 | Num_heavy_atoms: | 7 |
| TPSA: | 91.85 | NumAromaticRings: | 0 |
