Glycoside
GD037128
Name:
NoneFormula:
C22H31O6N3Smiles:
CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cc(-c3ccc(C(C)(C)C)cc3)nc(N)n2)[C@H]1OAglycone:
CC(C)(C)c1ccc(-c2cc(CO)nc(N)n2)cc1Sugarmoiety:
COC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.55 |
| AlogP: | 0.99 | Num_rotatable_bonds: | 6 |
| MolWt: | 433.51 | Num_heavy_atoms: | 31 |
| TPSA: | 140.18 | NumAromaticRings: | 2 |
Unique Aglycone
AD23413
Formula: C15H19ON3
Smiles:
CC(C)(C)c1ccc(-c2cc(CO)nc(N)n2)cc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 2.52 | Num_rotatable_bonds: | 2 |
| MolWt: | 257.34 | Num_heavy_atoms: | 19 |
| TPSA: | 72.03 | NumAromaticRings: | 2 |
