Glycoside
GD047840
Name:
NoneFormula:
C14H21O5N3Smiles:
OC[C@H]1O[C@@H](O)[C@H](Nc2cc3c(nn2)CCCC3)[C@@H](O)[C@@H]1OAglycone:
Nc1cc2c(nn1)CCCC2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.71 |
| AlogP: | -1.43 | Num_rotatable_bonds: | 3 |
| MolWt: | 311.34 | Num_heavy_atoms: | 22 |
| TPSA: | 127.96 | NumAromaticRings: | 1 |
Unique Aglycone
AD25692
Formula: C8H11N3
Smiles:
Nc1cc2c(nn1)CCCC2| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 149.2 | Num_heavy_atoms: | 11 |
| TPSA: | 51.8 | NumAromaticRings: | 1 |
