Glycoside
GD125211
Name:
NoneFormula:
C36H44O10N5Smiles:
CNC(=N)NCc1c(CC2(c3ccc([NH3+])nc3)CCCCC2)cc2c(c1O)C(=O)c1c(OC3OC(CO)C(O)C(O)C3O)cc(OC)cc1C2=[O+]Aglycone:
CNC(=N)NCc1c(CC2(c3ccc([NH3+])nc3)CCCCC2)cc2c(c1O)C(=O)c1c(O)cc(OC)cc1C2=[OH+]Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.44 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 9 |
| MolWt: | 706.77 | Num_heavy_atoms: | 51 |
| TPSA: | 254.25 | NumAromaticRings: | 3 |
Unique Aglycone
AD50632
Formula: C30H35O5N5
Smiles:
CNC(=N)NCc1c(CC2(c3ccc([NH3+])nc3)CCCCC2)cc2c(c1O)C(=O)c1c(O)cc(OC)cc1C2=[OH+]| HBA: | 10 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.33 |
| AlogP: | 2.55 | Num_rotatable_bonds: | 6 |
| MolWt: | 545.64 | Num_heavy_atoms: | 40 |
| TPSA: | 176.6 | NumAromaticRings: | 3 |
