Glycoside
GD117206
Name:
NoneFormula:
C30H34O10N3Smiles:
CNCc1c(CCc2ccc([NH3+])nc2)cc2c(c1O)C(=O)c1c(OC3OC(CO)C(O)C(O)C3O)cc(OC)cc1C2=[O+]Aglycone:
CNCc1c(CCc2ccc([NH3+])nc2)cc2c(c1O)C(=O)c1c(O)cc(OC)cc1C2=[OH+]Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.37 |
| AlogP: | -0.87 | Num_rotatable_bonds: | 9 |
| MolWt: | 596.61 | Num_heavy_atoms: | 43 |
| TPSA: | 218.37 | NumAromaticRings: | 3 |
Unique Aglycone
AD46695
Formula: C24H25O5N3
Smiles:
CNCc1c(CCc2ccc([NH3+])nc2)cc2c(c1O)C(=O)c1c(O)cc(OC)cc1C2=[OH+]| HBA: | 8 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.21 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 6 |
| MolWt: | 435.48 | Num_heavy_atoms: | 32 |
| TPSA: | 140.72 | NumAromaticRings: | 3 |
