Glycoside
GD086359
Name:
NoneFormula:
C16H19O7N8Smiles:
Nc1nc2c(ncn2[C@@H]2O[C@H](C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C(=O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
Nc1nc2c(c(=O)[nH]1)N=C[N]2.O=CNC(Cc1c[nH+]c[nH]1)C(=O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.38 |
| AlogP: | -3.72 | Num_rotatable_bonds: | 6 |
| MolWt: | 435.38 | Num_heavy_atoms: | 31 |
| TPSA: | 235.61 | NumAromaticRings: | 3 |
Unique Aglycone
AD00207
Formula: C5H4ON5
Smiles:
Nc1nc2c(c(=O)[nH]1)N=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 98.23 | NumAromaticRings: | 1 |
AD36281
Formula: C7H10O3N3
Smiles:
O=CNC(Cc1c[nH+]c[nH]1)C(=O)O| HBA: | 6 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | -1.43 | Num_rotatable_bonds: | 5 |
| MolWt: | 184.17 | Num_heavy_atoms: | 13 |
| TPSA: | 96.33 | NumAromaticRings: | 1 |
