Glycoside
GD046084
Name:
NoneFormula:
C14H21O5N2Smiles:
OC[C@H]1O[C@@H](O)[C@H](Nc2cc[nH+]c(C3CC3)c2)[C@@H](O)[C@@H]1OAglycone:
Nc1cc[nH+]c(C2CC2)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.64 |
| AlogP: | -1.41 | Num_rotatable_bonds: | 4 |
| MolWt: | 297.33 | Num_heavy_atoms: | 21 |
| TPSA: | 116.32 | NumAromaticRings: | 1 |
Unique Aglycone
AD25342
Formula: C8H11N2
Smiles:
Nc1cc[nH+]c(C2CC2)c1| HBA: | 2 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.38 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 1 |
| MolWt: | 135.19 | Num_heavy_atoms: | 10 |
| TPSA: | 40.16 | NumAromaticRings: | 1 |
