Glycoside
GD037040
Name:
NoneFormula:
C23H30O7N5PSmiles:
Cc1ccccc1-c1nc(NC2CCCC2)c2ncn([C@@H]3O[C@H](COCP(=O)(O)O)[C@H](O)[C@H]3O)c2n1Aglycone:
COCP(=O)(O)O.Cc1ccccc1-c1nc2c(c(NC3CCCC3)n1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.52 |
| AlogP: | 1.93 | Num_rotatable_bonds: | 8 |
| MolWt: | 519.5 | Num_heavy_atoms: | 36 |
| TPSA: | 172.08 | NumAromaticRings: | 3 |
Unique Aglycone
AD01581
Formula: C2H7O4P
Smiles:
COCP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.23 | Num_rotatable_bonds: | 2 |
| MolWt: | 126.05 | Num_heavy_atoms: | 7 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD23363
Formula: C17H18N5
Smiles:
Cc1ccccc1-c1nc2c(c(NC3CCCC3)n1)N=C[N]2| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.35 |
| AlogP: | 3.72 | Num_rotatable_bonds: | 3 |
| MolWt: | 292.37 | Num_heavy_atoms: | 22 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
