Glycoside
GD152707
Name:
NoneFormula:
C33H40O11N5Smiles:
CNC(=N)NC(CCO)c1c(CCc2ccc([NH3+])nc2)cc2c(c1O)C(=O)c1c(OC3OC(CO)C(O)C(O)C3O)cc(OC)cc1C2=[O+]Aglycone:
CNC(=N)NC(CCO)c1c(CCc2ccc([NH3+])nc2)cc2c(c1O)C(=O)c1c(O)cc(OC)cc1C2=[OH+]Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 12 | FractionCSP3: | 0.39 |
| AlogP: | -1.42 | Num_rotatable_bonds: | 11 |
| MolWt: | 682.71 | Num_heavy_atoms: | 49 |
| TPSA: | 274.48 | NumAromaticRings: | 3 |
Unique Aglycone
AD60781
Formula: C27H31O6N5
Smiles:
CNC(=N)NC(CCO)c1c(CCc2ccc([NH3+])nc2)cc2c(c1O)C(=O)c1c(O)cc(OC)cc1C2=[OH+]| HBA: | 11 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.26 |
| AlogP: | 0.81 | Num_rotatable_bonds: | 8 |
| MolWt: | 521.57 | Num_heavy_atoms: | 38 |
| TPSA: | 196.83 | NumAromaticRings: | 3 |
