Glycoside
GD029013
Name:
NoneFormula:
C22H30O4N6Smiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(NC45CC6CC(CC(C6)C4)C5)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2NC23CC4CC(CC(C4)C2)C3)[N]1.CCNC=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.73 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 5 |
| MolWt: | 442.52 | Num_heavy_atoms: | 32 |
| TPSA: | 134.42 | NumAromaticRings: | 2 |
Unique Aglycone
AD00170
Formula: C3H7ON
Smiles:
CCNC=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD03285
Formula: C15H18N5
Smiles:
C1=Nc2c(ncnc2NC23CC4CC(CC(C4)C2)C3)[N]1| HBA: | 5 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 2.77 | Num_rotatable_bonds: | 2 |
| MolWt: | 268.34 | Num_heavy_atoms: | 20 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
