Glycoside
GD073850
Name:
NoneFormula:
C17H23O6N5Smiles:
CC(=O)N[C@H]1[C@H](OCCn2cc(-c3ccncc3)nn2)O[C@H](CO)[C@@H](O)[C@@H]1OAglycone:
OCCn1cc(-c2ccncc2)nn1Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | -1.7 | Num_rotatable_bonds: | 7 |
| MolWt: | 393.4 | Num_heavy_atoms: | 28 |
| TPSA: | 151.85 | NumAromaticRings: | 2 |
Unique Aglycone
AD31952
Formula: C9H10ON4
Smiles:
OCCn1cc(-c2ccncc2)nn1| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 0.33 | Num_rotatable_bonds: | 3 |
| MolWt: | 190.21 | Num_heavy_atoms: | 14 |
| TPSA: | 63.83 | NumAromaticRings: | 2 |
