Glycoside
GD119045
Name:
4-{[(diaminomethylidene)azaniumyl]methyl}-6-{[5,6-dihydroxy-2-(4-hydroxyphenyl)-3-(3-methylbutyl)-4-oxo-4H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylateFormula:
C28H33O12N3Smiles:
CC(C)CCc1c(-c2ccc(O)cc2)oc2cc(OC3OC(C(=O)O)C(O)C(O)(CNC(=N)N)C3O)c(O)c(O)c2c1=OAglycone:
CC(C)CCc1c(-c2ccc(O)cc2)oc2cc(O)c(O)c(O)c2c1=O.CNC(=N)NSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 11 | FractionCSP3: | 0.39 |
| AlogP: | 0.29 | Num_rotatable_bonds: | 9 |
| MolWt: | 603.58 | Num_heavy_atoms: | 43 |
| TPSA: | 269.25 | NumAromaticRings: | 3 |
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 |
AD47649
Formula: C20H20O6
Smiles:
CC(C)CCc1c(-c2ccc(O)cc2)oc2cc(O)c(O)c(O)c2c1=O| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.25 |
| AlogP: | 3.87 | Num_rotatable_bonds: | 4 |
| MolWt: | 356.37 | Num_heavy_atoms: | 26 |
| TPSA: | 111.13 | NumAromaticRings: | 3 |
