Glycoside
GD142357
Name:
NoneFormula:
C34H42O11N5Smiles:
CNC(=N)NCc1c(CC(CCCO)c2ccc([NH3+])nc2)cc2c(c1O)C(=O)c1c(OC3OC(CO)C(O)C(O)C3O)cc(OC)cc1C2=[O+]Aglycone:
CNC(=N)NCc1c(CC(CCCO)c2ccc([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: | 0.41 |
| AlogP: | -1.03 | Num_rotatable_bonds: | 12 |
| MolWt: | 696.73 | Num_heavy_atoms: | 50 |
| TPSA: | 274.48 | NumAromaticRings: | 3 |
Unique Aglycone
AD57290
Formula: C28H33O6N5
Smiles:
CNC(=N)NCc1c(CC(CCCO)c2ccc([NH3+])nc2)cc2c(c1O)C(=O)c1c(O)cc(OC)cc1C2=[OH+]| HBA: | 11 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.29 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 9 |
| MolWt: | 535.6 | Num_heavy_atoms: | 39 |
| TPSA: | 196.83 | NumAromaticRings: | 3 |
