Glycoside
GD148319
Name:
Dichotomide IvFormula:
C24H25O10N3Smiles:
COC(=O)C=CNC(=O)c1cc2c([nH]c3c(OC4OC(CO)C(O)C(O)C4O)cccc32)c(C(C)=O)n1Aglycone:
COC(=O)C=CNC(=O)c1cc2c([nH]c3c(O)cccc32)c(C(C)=O)n1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | -0.49 | Num_rotatable_bonds: | 7 |
| MolWt: | 515.48 | Num_heavy_atoms: | 37 |
| TPSA: | 200.53 | NumAromaticRings: | 3 |
Unique Aglycone
AD59359
Formula: C18H15O5N3
Smiles:
COC(=O)C=CNC(=O)c1cc2c([nH]c3c(O)cccc32)c(C(C)=O)n1| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.11 |
| AlogP: | 2.04 | Num_rotatable_bonds: | 4 |
| MolWt: | 353.33 | Num_heavy_atoms: | 26 |
| TPSA: | 121.38 | NumAromaticRings: | 3 |
