Glycoside
GD013507
Name:
NoneFormula:
C24H32O5N7ISmiles:
N[C@H](CCCN(CCI)C[C@@H]1O[C@H](n2cnc3c(NCc4ccccc4)ncnc32)[C@H](O)[C@H]1O)C(=O)OAglycone:
C1=Nc2c(ncnc2NCc2ccccc2)[N]1.CN(CCI)CCCC(N)C(=O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | 0.99 | Num_rotatable_bonds: | 13 |
| MolWt: | 625.47 | Num_heavy_atoms: | 37 |
| TPSA: | 171.88 | 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 |
AD10069
Formula: C8H17O2N2I
Smiles:
CN(CCI)CCCC(N)C(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.88 |
| AlogP: | 0.55 | Num_rotatable_bonds: | 7 |
| MolWt: | 300.14 | Num_heavy_atoms: | 13 |
| TPSA: | 66.56 | NumAromaticRings: | 0 |
