Glycoside
GD003240
Name:
NoneFormula:
C22H25O4N9Smiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(NC)nc(-n4cc(Cc5ccccc5)nn4)nc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.CNc1nc(-n2cc(Cc3ccccc3)nn2)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.36 |
| AlogP: | -0.21 | Num_rotatable_bonds: | 7 |
| MolWt: | 479.5 | Num_heavy_atoms: | 35 |
| TPSA: | 165.13 | NumAromaticRings: | 4 |
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 |
AD00709
Formula: C15H13N8
Smiles:
CNc1nc(-n2cc(Cc3ccccc3)nn2)nc2c1N=C[N]2| HBA: | 8 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.13 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 4 |
| MolWt: | 305.33 | Num_heavy_atoms: | 23 |
| TPSA: | 94.98 | NumAromaticRings: | 3 |
