Glycoside
GD101977
Name:
NoneFormula:
C18H26O6N3BrSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2cnc(N3CCCC3)c(Br)c2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(NCCO)c1cnc(N2CCCC2)c(Br)c1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | 0.02 | Num_rotatable_bonds: | 6 |
| MolWt: | 460.33 | Num_heavy_atoms: | 28 |
| TPSA: | 124.38 | NumAromaticRings: | 1 |
Unique Aglycone
AD43177
Formula: C12H16O2N3Br
Smiles:
O=C(NCCO)c1cnc(N2CCCC2)c(Br)c1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 1.17 | Num_rotatable_bonds: | 4 |
| MolWt: | 314.18 | Num_heavy_atoms: | 18 |
| TPSA: | 65.46 | NumAromaticRings: | 1 |
