Glycoside
GD016123
Name:
NoneFormula:
C25H32O4N6Smiles:
O=C(CC1CCCCC1)NC[C@@H]1OC(n2cnc3c(NCc4ccccc4)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2NCc2ccccc2)[N]1.CNC(=O)CC1CCCCC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.52 |
| AlogP: | 2.14 | Num_rotatable_bonds: | 8 |
| MolWt: | 480.57 | Num_heavy_atoms: | 35 |
| TPSA: | 134.42 | NumAromaticRings: | 3 |
Unique Aglycone
AD01429
Formula: C12H10N5
Smiles:
C1=Nc2c(ncnc2NCc2ccccc2)[N]1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 3 |
| MolWt: | 224.25 | Num_heavy_atoms: | 17 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
AD05647
Formula: C9H17ON
Smiles:
CNC(=O)CC1CCCCC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.89 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 2 |
| MolWt: | 155.24 | Num_heavy_atoms: | 11 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
