Glycoside
GD027358
Name:
NoneFormula:
C9H13O6N5Smiles:
O=c1[nH]c(=O)c2nnn(C[C@H](O)[C@H](O)[C@H](O)CO)c2[nH]1Aglycone:
Cn1nnc2c(=O)[nH]c(=O)[nH]c21Sugarmoiety:
OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | -4.12 | Num_rotatable_bonds: | 5 |
| MolWt: | 287.23 | Num_heavy_atoms: | 20 |
| TPSA: | 177.35 | NumAromaticRings: | 2 |
Unique Aglycone
AD17986
Formula: C5H5O2N5
Smiles:
Cn1nnc2c(=O)[nH]c(=O)[nH]c21| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | -1.66 | Num_rotatable_bonds: | 0 |
| MolWt: | 167.13 | Num_heavy_atoms: | 12 |
| TPSA: | 96.43 | NumAromaticRings: | 2 |
