Glycoside
GD000750
Name:
NoneFormula:
C22H25O4N5Smiles:
C[C@@H]1O[C@H](n2cc(-c3ccccc3)c3c(NCC(=O)NC4CC4)ncnc32)[C@H](O)[C@H]1OAglycone:
O=C(CNc1ncnc2c1C(c1ccccc1)=C[N]2)NC1CC1Sugarmoiety:
CC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.41 |
| AlogP: | 1.43 | Num_rotatable_bonds: | 6 |
| MolWt: | 423.47 | Num_heavy_atoms: | 31 |
| TPSA: | 121.53 | NumAromaticRings: | 3 |
Unique Aglycone
AD00797
Formula: C17H16ON5
Smiles:
O=C(CNc1ncnc2c1C(c1ccccc1)=C[N]2)NC1CC1| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.24 |
| AlogP: | 1.81 | Num_rotatable_bonds: | 5 |
| MolWt: | 306.35 | Num_heavy_atoms: | 23 |
| TPSA: | 81.01 | NumAromaticRings: | 2 |
