Glycoside
GD082299
Name:
NoneFormula:
C16H22O7N6Smiles:
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)OCCOC)ncnc32)[C@H](O)[C@@H]1OAglycone:
CCNC=O.COCCOC(=O)Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | -1.22 | Num_rotatable_bonds: | 7 |
| MolWt: | 410.39 | Num_heavy_atoms: | 29 |
| TPSA: | 169.95 | NumAromaticRings: | 2 |
Unique Aglycone
AD00170
Formula: C3H7ON
Smiles:
CCNC=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD36965
Formula: C9H10O3N5
Smiles:
COCCOC(=O)Nc1ncnc2c1N=C[N]2| HBA: | 8 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 0.58 | Num_rotatable_bonds: | 4 |
| MolWt: | 236.21 | Num_heavy_atoms: | 17 |
| TPSA: | 99.8 | NumAromaticRings: | 1 |
