Glycoside
GD102181
Name:
NoneFormula:
C19H24O6N3BrSmiles:
Cc1c(C(=O)NCCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)cnn1-c1ccc(Br)cc1Aglycone:
Cc1c(C(=O)NCCO)cnn1-c1ccc(Br)cc1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.47 |
| AlogP: | 0.52 | Num_rotatable_bonds: | 6 |
| MolWt: | 470.32 | Num_heavy_atoms: | 29 |
| TPSA: | 126.07 | NumAromaticRings: | 2 |
Unique Aglycone
AD43241
Formula: C13H14O2N3Br
Smiles:
Cc1c(C(=O)NCCO)cnn1-c1ccc(Br)cc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.23 |
| AlogP: | 1.67 | Num_rotatable_bonds: | 4 |
| MolWt: | 324.18 | Num_heavy_atoms: | 19 |
| TPSA: | 67.15 | NumAromaticRings: | 2 |
