Glycoside
GD050075
Name:
NoneFormula:
C14H21O5N3Smiles:
OC[C@H]1O[C@H](O)[C@H](Nc2cc(C3CCC3)ncn2)[C@@H](O)[C@@H]1OAglycone:
Nc1cc(C2CCC2)ncn1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.71 |
| AlogP: | -1.04 | Num_rotatable_bonds: | 4 |
| MolWt: | 311.34 | Num_heavy_atoms: | 22 |
| TPSA: | 127.96 | NumAromaticRings: | 1 |
Unique Aglycone
AD26480
Formula: C8H11N3
Smiles:
Nc1cc(C2CCC2)ncn1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 1 |
| MolWt: | 149.2 | Num_heavy_atoms: | 11 |
| TPSA: | 51.8 | NumAromaticRings: | 1 |
