Glycoside
GD128540
Name:
NoneFormula:
C34H51O14N5Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)(O)C2OCNC)OC=C(C(=O)OC2CCCCC2)C1(O)C=CC1=C[NH+](CCO)C=C(C(=O)O)C1=N[C](N)NCAglycone:
C=CC1C(O)OC=C(C(=O)OC2CCCCC2)C1(O)C=CC1=C[NH+](CCO)C=C(C(=O)O)C1=NC(N)NCSugarmoiety:
CNCOC1C(O)OC(CO)C(O)C1(O)OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 4 |
| HBD: | 12 | FractionCSP3: | 0.59 |
| AlogP: | -3.66 | Num_rotatable_bonds: | 16 |
| MolWt: | 753.8 | Num_heavy_atoms: | 53 |
| TPSA: | 288.78 | NumAromaticRings: | 0 |
Unique Aglycone
AD52066
Formula: C26H37O8N4
Smiles:
C=CC1C(O)OC=C(C(=O)OC2CCCCC2)C1(O)C=CC1=C[NH+](CCO)C=C(C(=O)O)C1=NC(N)NC| HBA: | 12 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.5 |
| AlogP: | -1.17 | Num_rotatable_bonds: | 10 |
| MolWt: | 533.6 | Num_heavy_atoms: | 38 |
| TPSA: | 188.37 | NumAromaticRings: | 0 |
