Glycoside
GD135591
Name:
13-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,6-diazatetracyclo[7.6.1.0âµ,¹â¶.0¹â°,¹âµ]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-oneFormula:
C20H18O6N2Smiles:
O=c1ccc2nccc3c4ccc(C5OC(CO)C(O)C(O)C5O)cc4n1c23Aglycone:
O=c1ccc2nccc3c4ccccc4n1c23Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 2 |
| MolWt: | 382.37 | Num_heavy_atoms: | 28 |
| TPSA: | 124.52 | NumAromaticRings: | 4 |
Unique Aglycone
AD54826
Formula: C14H8ON2
Smiles:
O=c1ccc2nccc3c4ccccc4n1c23| HBA: | 3 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 2.44 | Num_rotatable_bonds: | 0 |
| MolWt: | 220.23 | Num_heavy_atoms: | 17 |
| TPSA: | 34.37 | NumAromaticRings: | 4 |
