Glycoside
GD150434
Name:
11-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1,6-diazatetracyclo[7.6.1.0âµ,¹â¶.0¹â°,¹âµ]hexadeca-3,5(16),6,8,10(15),11,13-heptaen-2-oneFormula:
C26H28O12N2Smiles:
O=c1ccc2nccc3c4c(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)cccc4n1c23Aglycone:
O=c1ccc2nccc3c4c(O)cccc4n1c23Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.46 |
| AlogP: | -2.56 | Num_rotatable_bonds: | 6 |
| MolWt: | 560.51 | Num_heavy_atoms: | 40 |
| TPSA: | 212.9 | NumAromaticRings: | 4 |
Unique Aglycone
AD60093
Formula: C14H8O2N2
Smiles:
O=c1ccc2nccc3c4c(O)cccc4n1c23| HBA: | 4 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.14 | Num_rotatable_bonds: | 0 |
| MolWt: | 236.23 | Num_heavy_atoms: | 18 |
| TPSA: | 54.6 | NumAromaticRings: | 4 |
