Glycoside
GD036607
Name:
NoneFormula:
C19H21O5N5Smiles:
O=c1ccn([C@@H]2O[C@H](CNCc3cccn3-c3ccncc3)[C@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
CNCc1cccn1-c1ccncc1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | -0.87 | Num_rotatable_bonds: | 6 |
| MolWt: | 399.41 | Num_heavy_atoms: | 29 |
| TPSA: | 134.4 | NumAromaticRings: | 3 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD22753
Formula: C11H13N3
Smiles:
CNCc1cccn1-c1ccncc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 187.25 | Num_heavy_atoms: | 14 |
| TPSA: | 29.85 | NumAromaticRings: | 2 |
