Glycoside
GD078382
Name:
NoneFormula:
C19H21O5N5Smiles:
O=c1[nH]c2c(Nc3cccc(C4CC4)c3)ncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
O=c1[nH]c2ncnc(Nc3cccc(C4CC4)c3)c2[nH]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | 0.35 | Num_rotatable_bonds: | 5 |
| MolWt: | 399.41 | Num_heavy_atoms: | 29 |
| TPSA: | 145.52 | NumAromaticRings: | 3 |
Unique Aglycone
AD35983
Formula: C14H13ON5
Smiles:
O=c1[nH]c2ncnc(Nc3cccc(C4CC4)c3)c2[nH]1| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.21 |
| AlogP: | 2.27 | Num_rotatable_bonds: | 3 |
| MolWt: | 267.29 | Num_heavy_atoms: | 20 |
| TPSA: | 86.46 | NumAromaticRings: | 3 |
