Glycoside
GD071968
Name:
NoneFormula:
C17H24O6N4Smiles:
CC(=O)N[C@H]1[C@H](OCCn2cc(C3=CC=CC3)nn2)O[C@H](CO)[C@@H](O)[C@@H]1OAglycone:
OCCn1cc(C2=CC=CC2)nn1Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.59 |
| AlogP: | -1.42 | Num_rotatable_bonds: | 7 |
| MolWt: | 380.4 | Num_heavy_atoms: | 27 |
| TPSA: | 138.96 | NumAromaticRings: | 1 |
Unique Aglycone
AD27470
Formula: C9H11ON3
Smiles:
OCCn1cc(C2=CC=CC2)nn1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 0.61 | Num_rotatable_bonds: | 3 |
| MolWt: | 177.21 | Num_heavy_atoms: | 13 |
| TPSA: | 50.94 | NumAromaticRings: | 1 |
