Glycoside
GD126690
Name:
NoneFormula:
C36H54O13N4Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2OC(C)C)OC=C(C(=O)OC2CCCC2)C1C=CC1=C[NH+](CCO)C=C(C(=O)O)C1=N[C](N)NCCCOAglycone:
C=CC1C(O)OC=C(C(=O)OC2CCCC2)C1C=CC1=C[NH+](CCO)C=C(C(=O)O)C1=NC(N)NCCCOSugarmoiety:
CC(C)OC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.61 |
| AlogP: | -1.5 | Num_rotatable_bonds: | 18 |
| MolWt: | 750.84 | Num_heavy_atoms: | 53 |
| TPSA: | 256.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD51278
Formula: C27H39O8N4
Smiles:
C=CC1C(O)OC=C(C(=O)OC2CCCC2)C1C=CC1=C[NH+](CCO)C=C(C(=O)O)C1=NC(N)NCCCO| HBA: | 12 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.52 |
| AlogP: | -0.92 | Num_rotatable_bonds: | 13 |
| MolWt: | 547.63 | Num_heavy_atoms: | 39 |
| TPSA: | 188.37 | NumAromaticRings: | 0 |
