Glycoside
GD035975
Name:
NoneFormula:
C22H31O5N5Smiles:
O=C(OC[C@@H]1O[C@H](n2cnc3c(NC4CCCC4)ncnc32)[C@H](O)[C@H]1O)C1CCCCC1Aglycone:
C1=Nc2c(ncnc2NC2CCCC2)[N]1.COC(=O)C1CCCCC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.73 |
| AlogP: | 1.92 | Num_rotatable_bonds: | 6 |
| MolWt: | 445.52 | Num_heavy_atoms: | 32 |
| TPSA: | 131.62 | NumAromaticRings: | 2 |
Unique Aglycone
AD00959
Formula: C10H12N5
Smiles:
C1=Nc2c(ncnc2NC2CCCC2)[N]1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 1.74 | Num_rotatable_bonds: | 2 |
| MolWt: | 202.24 | Num_heavy_atoms: | 15 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
AD22735
Formula: C8H14O2
Smiles:
COC(=O)C1CCCCC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.88 |
| AlogP: | 1.74 | Num_rotatable_bonds: | 1 |
| MolWt: | 142.2 | Num_heavy_atoms: | 10 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
