Glycoside
GD004153
Name:
NoneFormula:
C22H23O5N5Smiles:
C[C@@H]1O[C@H](n2cc(-c3ccccc3)c3c(NC(=O)C(=O)NC4CC4)ncnc32)[C@H](O)[C@H]1OAglycone:
O=C(Nc1ncnc2c1C(c1ccccc1)=C[N]2)C(=O)NC1CC1Sugarmoiety:
CC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.36 |
| AlogP: | 0.95 | Num_rotatable_bonds: | 4 |
| MolWt: | 437.46 | Num_heavy_atoms: | 32 |
| TPSA: | 138.6 | NumAromaticRings: | 3 |
Unique Aglycone
AD03670
Formula: C17H14O2N5
Smiles:
O=C(Nc1ncnc2c1C(c1ccccc1)=C[N]2)C(=O)NC1CC1| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.18 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 3 |
| MolWt: | 320.33 | Num_heavy_atoms: | 24 |
| TPSA: | 98.08 | NumAromaticRings: | 2 |
