Glycoside
GD120305
Name:
{[5-hydroxy-6-({4-hydroxy-3-[4-hydroxy-3-(4-hydroxy-3-methylbut-2-en-1-yl)benzamido]-8-methyl-2-oxo-2H-chromen-6-yl}oxy)-3-methoxy-2,2-dimethyloxan-4-yl]oxy}methanimidic acidFormula:
C31H36O12N2Smiles:
COC1C(OC(=N)O)C(O)C(Oc2cc(C)c3oc(=O)c(NC(=O)c4ccc(O)c(CC=C(C)CO)c4)c(O)c3c2)OC1(C)CAglycone:
CC(=CCc1cc(C(=O)Nc2c(O)c3cc(O)cc(C)c3oc2=O)ccc1O)COSugarmoiety:
COC1C(OC(=N)O)C(O)C(O)OC1(C)COther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.39 |
| AlogP: | 3.01 | Num_rotatable_bonds: | 9 |
| MolWt: | 628.63 | Num_heavy_atoms: | 45 |
| TPSA: | 221.23 | NumAromaticRings: | 3 |
Unique Aglycone
AD48315
Formula: C22H21O7N
Smiles:
CC(=CCc1cc(C(=O)Nc2c(O)c3cc(O)cc(C)c3oc2=O)ccc1O)CO| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.18 |
| AlogP: | 2.95 | Num_rotatable_bonds: | 5 |
| MolWt: | 411.41 | Num_heavy_atoms: | 30 |
| TPSA: | 140.23 | NumAromaticRings: | 3 |
