Glycoside
GD003321
Name:
NoneFormula:
C23H28O6N6Smiles:
C[C@]1(O)[C@H](O)[C@H](COC(=O)NCc2ccccc2)O[C@H]1n1cnc2c(N[C@@H]3CCOC3)ncnc21Aglycone:
C1=Nc2c(ncnc2NC2CCOC2)[N]1.COC(=O)NCc1ccccc1Sugarmoiety:
CC1(O)C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.48 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 7 |
| MolWt: | 484.51 | Num_heavy_atoms: | 35 |
| TPSA: | 152.88 | 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 |
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 |
