Glycoside
GD056650
Name:
NoneFormula:
C14H19O6N3Smiles:
CN1Cc2cc(N[C@H]3[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)cnc2C1=OAglycone:
CN1Cc2cc(N)cnc2C1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.57 |
| AlogP: | -2.12 | Num_rotatable_bonds: | 3 |
| MolWt: | 325.32 | Num_heavy_atoms: | 23 |
| TPSA: | 135.38 | NumAromaticRings: | 1 |
Unique Aglycone
AD28469
Formula: C8H9ON3
Smiles:
CN1Cc2cc(N)cnc2C1=O| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 0.25 | Num_rotatable_bonds: | 0 |
| MolWt: | 163.18 | Num_heavy_atoms: | 12 |
| TPSA: | 59.22 | NumAromaticRings: | 1 |
