Glycoside
GD064661
Name:
NoneFormula:
C15H22O8N2Smiles:
COc1ccnc(C(=O)NCCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)c1OAglycone:
COc1ccnc(C(=O)NCCO)c1OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.6 |
| AlogP: | -1.63 | Num_rotatable_bonds: | 6 |
| MolWt: | 358.35 | Num_heavy_atoms: | 25 |
| TPSA: | 150.6 | NumAromaticRings: | 1 |
Unique Aglycone
AD31114
Formula: C9H12O4N2
Smiles:
COc1ccnc(C(=O)NCCO)c1O| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | -0.48 | Num_rotatable_bonds: | 4 |
| MolWt: | 212.2 | Num_heavy_atoms: | 15 |
| TPSA: | 91.68 | NumAromaticRings: | 1 |
