Glycoside
GD090489
Name:
NoneFormula:
C21H23O6N5Smiles:
O=C(CC1Cc2ccccc2C1)Nc1ncnc2c1[nH]c(=O)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
O=C(CC1Cc2ccccc2C1)Nc1ncnc2[nH]c(=O)[nH]c12Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | -0.53 | Num_rotatable_bonds: | 5 |
| MolWt: | 441.44 | Num_heavy_atoms: | 32 |
| TPSA: | 162.59 | NumAromaticRings: | 3 |
Unique Aglycone
AD39365
Formula: C16H15O2N5
Smiles:
O=C(CC1Cc2ccccc2C1)Nc1ncnc2[nH]c(=O)[nH]c12| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 3 |
| MolWt: | 309.33 | Num_heavy_atoms: | 23 |
| TPSA: | 103.53 | NumAromaticRings: | 3 |
