Glycoside
GD000287
Name:
NoneFormula:
C12H17O7N5Smiles:
COc1nc2c(nc(N)n2C2OC(CO)C(O)C(O)C2O)c(=O)[nH]1Aglycone:
COc1nc2c(c(=O)[nH]1)N=C(N)[N]2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.58 |
| AlogP: | -3.32 | Num_rotatable_bonds: | 3 |
| MolWt: | 343.3 | Num_heavy_atoms: | 24 |
| TPSA: | 188.97 | NumAromaticRings: | 2 |
Unique Aglycone
AD00330
Formula: C6H6O2N5
Smiles:
COc1nc2c(c(=O)[nH]1)N=C(N)[N]2| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.17 |
| AlogP: | -1.03 | Num_rotatable_bonds: | 1 |
| MolWt: | 180.15 | Num_heavy_atoms: | 13 |
| TPSA: | 107.46 | NumAromaticRings: | 1 |
