Glycoside
GD009734
Name:
NoneFormula:
C18H21O7N7Smiles:
O=C(O)c1cnn(-c2nc(N[C@@H]3CCCO3)c3ncn([C@@H]4O[C@H](CO)[C@H](O)[C@H]4O)c3n2)c1Aglycone:
O=C(O)c1cnn(-c2nc3c(c(NC4CCCO4)n2)N=C[N]3)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -1.13 | Num_rotatable_bonds: | 6 |
| MolWt: | 447.41 | Num_heavy_atoms: | 32 |
| TPSA: | 189.9 | NumAromaticRings: | 3 |
Unique Aglycone
AD07607
Formula: C13H12O3N7
Smiles:
O=C(O)c1cnn(-c2nc3c(c(NC4CCCO4)n2)N=C[N]3)c1| HBA: | 10 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.31 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 4 |
| MolWt: | 314.28 | Num_heavy_atoms: | 23 |
| TPSA: | 128.62 | NumAromaticRings: | 2 |
