Glycoside
GD100204
Name:
NoneFormula:
C21H19O7N5Smiles:
O=C(Nc1[nH]c(=O)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)Oc1ccc2ccccc2c1Aglycone:
O=C(Nc1[nH]c(=O)nc2c1N=C[N]2)Oc1ccc2ccccc2c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.24 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 4 |
| MolWt: | 453.41 | Num_heavy_atoms: | 33 |
| TPSA: | 171.82 | NumAromaticRings: | 4 |
Unique Aglycone
AD42346
Formula: C16H10O3N5
Smiles:
O=C(Nc1[nH]c(=O)nc2c1N=C[N]2)Oc1ccc2ccccc2c1| HBA: | 8 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.44 | Num_rotatable_bonds: | 2 |
| MolWt: | 320.29 | Num_heavy_atoms: | 24 |
| TPSA: | 110.54 | NumAromaticRings: | 3 |
