Glycoside
GD098663
Name:
NoneFormula:
C24H27O6N5Smiles:
O=C(N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)c1cc(-c2cnc(-c3cccnc3)nc2)cn1CC1CC1Aglycone:
NC(=O)c1cc(-c2cnc(-c3cccnc3)nc2)cn1CC1CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 7 |
| MolWt: | 481.51 | Num_heavy_atoms: | 35 |
| TPSA: | 162.85 | NumAromaticRings: | 3 |
Unique Aglycone
AD41967
Formula: C18H17ON5
Smiles:
NC(=O)c1cc(-c2cnc(-c3cccnc3)nc2)cn1CC1CC1| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 2.52 | Num_rotatable_bonds: | 5 |
| MolWt: | 319.37 | Num_heavy_atoms: | 24 |
| TPSA: | 86.69 | NumAromaticRings: | 3 |
