Glycoside
GD018489
Name:
NoneFormula:
C18H24O6N6Smiles:
O=C(NC1CC1)OC[C@@H]1OC(n2cnc3c(NC4CCOC4)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2NC2CCOC2)[N]1.COC(=O)NC1CC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | -0.47 | Num_rotatable_bonds: | 6 |
| MolWt: | 420.43 | Num_heavy_atoms: | 30 |
| TPSA: | 152.88 | NumAromaticRings: | 2 |
Unique Aglycone
AD01177
Formula: C9H10ON5
Smiles:
C1=Nc2c(ncnc2NC2CCOC2)[N]1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.44 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 2 |
| MolWt: | 204.21 | Num_heavy_atoms: | 15 |
| TPSA: | 73.5 | NumAromaticRings: | 1 |
AD13041
Formula: C5H9O2N
Smiles:
COC(=O)NC1CC1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 115.13 | Num_heavy_atoms: | 8 |
| TPSA: | 38.33 | NumAromaticRings: | 0 |
