Glycoside
GD014173
Name:
NoneFormula:
C22H27O5N5Smiles:
C[C@@H]1O[C@H](n2cc(-c3ccccc3)c3c(NCC(=O)NCCCO)ncnc32)[C@H](O)[C@H]1OAglycone:
O=C(CNc1ncnc2c1C(c1ccccc1)=C[N]2)NCCCOSugarmoiety:
CC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | 0.65 | Num_rotatable_bonds: | 8 |
| MolWt: | 441.49 | Num_heavy_atoms: | 32 |
| TPSA: | 141.76 | NumAromaticRings: | 3 |
Unique Aglycone
AD10463
Formula: C17H18O2N5
Smiles:
O=C(CNc1ncnc2c1C(c1ccccc1)=C[N]2)NCCCO| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.24 |
| AlogP: | 1.03 | Num_rotatable_bonds: | 7 |
| MolWt: | 324.36 | Num_heavy_atoms: | 24 |
| TPSA: | 101.24 | NumAromaticRings: | 2 |
