Glycoside
GD117294
Name:
4-{[(diaminomethylidene)azaniumyl]methyl}-6-({2-[2-(4-ethyl-3,4-dihydronaphthalen-2-yl)-4-hydroxyphenyl]-5,6-dihydroxy-4-oxo-4H-chromen-7-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylateFormula:
C35H35O12N3Smiles:
CCC1CC(c2cc(O)ccc2-c2cc(=O)c3c(O)c(O)c(OC4OC(C(=O)O)C(O)C(O)(CNC(=N)N)C4O)cc3o2)=Cc2ccccc21Aglycone:
CCC1CC(c2cc(O)ccc2-c2cc(=O)c3c(O)c(O)c(O)cc3o2)=Cc2ccccc21.CNC(=N)NSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.29 |
| AlogP: | 2.14 | Num_rotatable_bonds: | 8 |
| MolWt: | 689.67 | Num_heavy_atoms: | 50 |
| TPSA: | 269.25 | NumAromaticRings: | 4 |
Unique Aglycone
AD01954
Formula: C2H7N3
Smiles:
CNC(=N)N| HBA: | 3 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -0.9 | Num_rotatable_bonds: | 0 |
| MolWt: | 73.1 | Num_heavy_atoms: | 5 |
| TPSA: | 61.9 | NumAromaticRings: | 0 |
AD46748
Formula: C27H22O6
Smiles:
CCC1CC(c2cc(O)ccc2-c2cc(=O)c3c(O)c(O)c(O)cc3o2)=Cc2ccccc21| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.15 |
| AlogP: | 5.72 | Num_rotatable_bonds: | 3 |
| MolWt: | 442.47 | Num_heavy_atoms: | 33 |
| TPSA: | 111.13 | NumAromaticRings: | 4 |
