Glycoside
GD032607
Name:
NoneFormula:
C12H16O8N5PSmiles:
O=C(CP(=O)(O)O)NC[C@@H]1O[C@H](n2cnc3c(=O)[nH]cnc32)[C@H](O)[C@H]1OAglycone:
CNC(=O)CP(=O)(O)O.O=c1[nH]cnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -2.97 | Num_rotatable_bonds: | 5 |
| MolWt: | 389.26 | Num_heavy_atoms: | 26 |
| TPSA: | 199.89 | NumAromaticRings: | 2 |
Unique Aglycone
AD01144
Formula: C5H3ON4
Smiles:
O=c1[nH]cnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | -0.32 | Num_rotatable_bonds: | 0 |
| MolWt: | 135.11 | Num_heavy_atoms: | 10 |
| TPSA: | 72.21 | NumAromaticRings: | 1 |
AD17934
Formula: C3H8O4NP
Smiles:
CNC(=O)CP(=O)(O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.67 |
| AlogP: | -1.09 | Num_rotatable_bonds: | 2 |
| MolWt: | 153.07 | Num_heavy_atoms: | 9 |
| TPSA: | 86.63 | NumAromaticRings: | 0 |
