Glycoside
GD009420
Name:
NoneFormula:
C18H19O6N5Smiles:
OC[C@@H]1O[C@H](n2cnc3c(NC4COc5ccccc5O4)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2NC2COc3ccccc3O2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.39 |
| AlogP: | -0.35 | Num_rotatable_bonds: | 4 |
| MolWt: | 401.38 | Num_heavy_atoms: | 29 |
| TPSA: | 144.01 | NumAromaticRings: | 3 |
Unique Aglycone
AD07388
Formula: C13H10O2N5
Smiles:
C1=Nc2c(ncnc2NC2COc3ccccc3O2)[N]1| HBA: | 7 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.15 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 2 |
| MolWt: | 268.26 | Num_heavy_atoms: | 20 |
| TPSA: | 82.73 | NumAromaticRings: | 2 |
