Glycoside
GD010385
Name:
NoneFormula:
C24H30O5N6Smiles:
C[C@]1(O)[C@H](O)[C@H](COC(=O)NCc2ccccc2)O[C@H]1n1cnc2c(NC3CCCC3)ncnc21Aglycone:
C1=Nc2c(ncnc2NC2CCCC2)[N]1.COC(=O)NCc1ccccc1Sugarmoiety:
CC1(O)C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 2.12 | Num_rotatable_bonds: | 7 |
| MolWt: | 482.54 | Num_heavy_atoms: | 35 |
| TPSA: | 143.65 | NumAromaticRings: | 3 |
Unique Aglycone
AD00054
Formula: C9H11O2N
Smiles:
COC(=O)NCc1ccccc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.54 | Num_rotatable_bonds: | 2 |
| MolWt: | 165.19 | Num_heavy_atoms: | 12 |
| TPSA: | 38.33 | NumAromaticRings: | 1 |
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 |
