Glycoside
GD014688
Name:
NoneFormula:
C21H29O4N5Smiles:
C[C@@H]1O[C@H](n2cnc3c(N)nc(OCC45CC6CC(CC(C6)C4)C5)nc32)[C@H](O)[C@H]1OAglycone:
Nc1nc(OCC23CC4CC(CC(C4)C2)C3)nc2c1N=C[N]2Sugarmoiety:
CC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.76 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 4 |
| MolWt: | 415.49 | Num_heavy_atoms: | 30 |
| TPSA: | 128.54 | NumAromaticRings: | 2 |
Unique Aglycone
AD10774
Formula: C16H20ON5
Smiles:
Nc1nc(OCC23CC4CC(CC(C4)C2)C3)nc2c1N=C[N]2| HBA: | 6 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.69 |
| AlogP: | 2.56 | Num_rotatable_bonds: | 3 |
| MolWt: | 298.37 | Num_heavy_atoms: | 22 |
| TPSA: | 87.49 | NumAromaticRings: | 1 |
