Glycoside
GD154252
Name:
4-{[(diaminomethylidene)amino]methyl}-6-[(2-{2-[1-formyl-16-(methylamino)tetracyclo[11.3.1.0²,¹¹.0âµ,¹â°]heptadeca-3,5,7,9-tetraen-3-yl]-4-hydroxyphenyl}-5,6-dihydroxy-4-oxo-4H-chromen-7-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C42H44O13N4Smiles:
CNC1CCC2CC3c4ccccc4C=C(c4cc(O)ccc4-c4cc(=O)c5c(O)c(O)c(OC6OC(C(=O)O)C(O)C(O)(CNC(=N)N)C6O)cc5o4)C3C1(C=O)C2Aglycone:
CNC(=N)N.CNC1CCC2CC3c4ccccc4C=C(c4cc(O)ccc4-c4cc(=O)c5c(O)c(O)c(O)cc5o4)C3C1(C=O)C2Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 8 |
| HBD: | 12 | FractionCSP3: | 0.38 |
| AlogP: | 1.93 | Num_rotatable_bonds: | 9 |
| MolWt: | 812.83 | Num_heavy_atoms: | 59 |
| TPSA: | 298.35 | 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 |
AD61291
Formula: C34H31O7N
Smiles:
CNC1CCC2CC3c4ccccc4C=C(c4cc(O)ccc4-c4cc(=O)c5c(O)c(O)c(O)cc5o4)C3C1(C=O)C2| HBA: | 8 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | 5.51 | Num_rotatable_bonds: | 4 |
| MolWt: | 565.62 | Num_heavy_atoms: | 42 |
| TPSA: | 140.23 | NumAromaticRings: | 4 |
