Glycoside
GD130399
Name:
{[5-hydroxy-6-({5-hydroxy-3-[4-hydroxy-3-(3-methylbutyl)benzamido]-8-methyl-2-oxo-2H-chromen-7-yl}oxy)-3-methoxy-2,2-dimethyloxan-4-yl]oxy}methanimidic acidFormula:
C31H38O11N2Smiles:
COC1C(OC(=N)O)C(O)C(Oc2cc(O)c3cc(NC(=O)c4ccc(O)c(CCC(C)C)c4)c(=O)oc3c2C)OC1(C)CAglycone:
Cc1c(O)cc(O)c2cc(NC(=O)c3ccc(O)c(CCC(C)C)c3)c(=O)oc12Sugarmoiety:
COC1C(OC(=N)O)C(O)C(O)OC1(C)COther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.45 |
| AlogP: | 4.12 | Num_rotatable_bonds: | 9 |
| MolWt: | 614.65 | Num_heavy_atoms: | 44 |
| TPSA: | 201.0 | NumAromaticRings: | 3 |
Unique Aglycone
AD52844
Formula: C22H23O6N
Smiles:
Cc1c(O)cc(O)c2cc(NC(=O)c3ccc(O)c(CCC(C)C)c3)c(=O)oc12| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.27 |
| AlogP: | 4.06 | Num_rotatable_bonds: | 5 |
| MolWt: | 397.43 | Num_heavy_atoms: | 29 |
| TPSA: | 120.0 | NumAromaticRings: | 3 |
