Glycoside
GD006960
Name:
NoneFormula:
C13H18O7N4Smiles:
COc1nc2c(c(=O)n(C)c(=O)n2C)n1C1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
COC1=Nc2c(c(=O)n(C)c(=O)n2C)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.62 |
| AlogP: | -2.95 | Num_rotatable_bonds: | 3 |
| MolWt: | 342.31 | Num_heavy_atoms: | 24 |
| TPSA: | 140.97 | NumAromaticRings: | 2 |
Unique Aglycone
AD05700
Formula: C8H9O3N4
Smiles:
COC1=Nc2c(c(=O)n(C)c(=O)n2C)[N]1| HBA: | 7 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.38 |
| AlogP: | -1.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 209.19 | Num_heavy_atoms: | 15 |
| TPSA: | 79.69 | NumAromaticRings: | 1 |
