Glycoside
GD029712
Name:
NoneFormula:
C21H29O14N5Smiles:
Nc1nc2c(ncn2C(=O)CCC(=O)OC[C@@H]2O[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
COC(=O)CCC(=O)n1cnc2c(=O)[nH]c(N)nc21Sugarmoiety:
OCC1OC(OC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.67 |
| AlogP: | -5.71 | Num_rotatable_bonds: | 8 |
| MolWt: | 575.48 | Num_heavy_atoms: | 40 |
| TPSA: | 302.26 | NumAromaticRings: | 2 |
Unique Aglycone
AD19301
Formula: C10H11O4N5
Smiles:
COC(=O)CCC(=O)n1cnc2c(=O)[nH]c(N)nc21| HBA: | 9 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.3 |
| AlogP: | -0.7 | Num_rotatable_bonds: | 3 |
| MolWt: | 265.23 | Num_heavy_atoms: | 19 |
| TPSA: | 132.96 | NumAromaticRings: | 2 |
