Glycoside
GD091896
Name:
NoneFormula:
C20H23O6N5Smiles:
OC[C@H]1O[C@@H](n2cnc3c(NCCc4ccc5c(c4)OCCO5)ncnc32)[C@H](O)[C@@H]1OAglycone:
C1=Nc2c(ncnc2NCCc2ccc3c(c2)OCCO3)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 6 |
| MolWt: | 429.43 | Num_heavy_atoms: | 31 |
| TPSA: | 144.01 | NumAromaticRings: | 3 |
Unique Aglycone
AD40086
Formula: C15H14O2N5
Smiles:
C1=Nc2c(ncnc2NCCc2ccc3c(c2)OCCO3)[N]1| HBA: | 7 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.27 |
| AlogP: | 1.81 | Num_rotatable_bonds: | 4 |
| MolWt: | 296.31 | Num_heavy_atoms: | 22 |
| TPSA: | 82.73 | NumAromaticRings: | 2 |
