Glycoside
GD133883
Name:
4-{[(diaminomethylidene)azaniumyl]methyl}-6-{[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3-(2-phenylethyl)-4H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylateFormula:
C31H31O12N3Smiles:
N=C(N)NCC1(O)C(O)C(Oc2cc3oc(-c4ccc(O)cc4)c(CCc4ccccc4)c(=O)c3c(O)c2O)OC(C(=O)O)C1OAglycone:
CNC(=N)N.O=c1c(CCc2ccccc2)c(-c2ccc(O)cc2)oc2cc(O)c(O)c(O)c12Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.26 |
| AlogP: | 0.49 | Num_rotatable_bonds: | 9 |
| MolWt: | 637.6 | Num_heavy_atoms: | 46 |
| 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 |
AD48697
Formula: C23H18O6
Smiles:
O=c1c(CCc2ccccc2)c(-c2ccc(O)cc2)oc2cc(O)c(O)c(O)c12| HBA: | 6 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.09 |
| AlogP: | 4.07 | Num_rotatable_bonds: | 4 |
| MolWt: | 390.39 | Num_heavy_atoms: | 29 |
| TPSA: | 111.13 | NumAromaticRings: | 4 |
