Glycoside
GD008213
Name:
NoneFormula:
C21H29O8N5Smiles:
NC[C@@H]1O[C@H](O[C@H](CNCc2ccncc2)[C@@H]2C[C@H](O)[C@H](n3ccc(=O)[nH]c3=O)O2)[C@H](O)[C@H]1OAglycone:
O=c1ccn(C2OC(C(O)CNCc3ccncc3)CC2O)c(=O)[nH]1Sugarmoiety:
NCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.57 |
| AlogP: | -2.84 | Num_rotatable_bonds: | 9 |
| MolWt: | 479.49 | Num_heavy_atoms: | 34 |
| TPSA: | 194.18 | NumAromaticRings: | 2 |
Unique Aglycone
AD06584
Formula: C16H20O5N4
Smiles:
O=c1ccn(C2OC(C(O)CNCc3ccncc3)CC2O)c(=O)[nH]1| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | -1.27 | Num_rotatable_bonds: | 6 |
| MolWt: | 348.36 | Num_heavy_atoms: | 25 |
| TPSA: | 129.47 | NumAromaticRings: | 2 |
