Glycoside
GD083996
Name:
NoneFormula:
C19H22O5N6Smiles:
OC[C@H]1O[C@@H](n2cnc3c(N4CC[C@@H](Oc5ccncc5)C4)ncnc32)[C@H](O)[C@@H]1OAglycone:
C1=Nc2c(ncnc2N2CCC(Oc3ccncc3)C2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.47 |
| AlogP: | -0.51 | Num_rotatable_bonds: | 5 |
| MolWt: | 414.42 | Num_heavy_atoms: | 30 |
| TPSA: | 138.88 | NumAromaticRings: | 3 |
Unique Aglycone
AD37472
Formula: C14H13ON6
Smiles:
C1=Nc2c(ncnc2N2CCC(Oc3ccncc3)C2)[N]1| HBA: | 7 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.29 |
| AlogP: | 1.44 | Num_rotatable_bonds: | 3 |
| MolWt: | 281.3 | Num_heavy_atoms: | 21 |
| TPSA: | 77.6 | NumAromaticRings: | 2 |
