Glycoside
GD004172
Name:
NoneFormula:
C20H22O6N6Smiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(NC(=O)c4ccc(OC)cc4)ncnc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.COc1ccc(C(=O)Nc2ncnc3c2N=C[N]3)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 6 |
| MolWt: | 442.43 | Num_heavy_atoms: | 32 |
| TPSA: | 160.72 | NumAromaticRings: | 3 |
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 |
AD03682
Formula: C13H10O2N5
Smiles:
COc1ccc(C(=O)Nc2ncnc3c2N=C[N]3)cc1| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 1.65 | Num_rotatable_bonds: | 3 |
| MolWt: | 268.26 | Num_heavy_atoms: | 20 |
| TPSA: | 90.57 | NumAromaticRings: | 2 |
