Glycoside
GD132910
Name:
13-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,6-diazatetracyclo[7.6.1.0âµ,¹â¶.0¹â°,¹âµ]hexadeca-5(16),6,8,10,12,14-hexaen-2-oneFormula:
C20H20O7N2Smiles:
O=C1CCc2nccc3c4ccc(OC5OC(CO)C(O)C(O)C5O)cc4n1c23Aglycone:
O=C1CCc2nccc3c4ccc(O)cc4n1c23Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 3 |
| MolWt: | 400.39 | Num_heavy_atoms: | 29 |
| TPSA: | 134.27 | NumAromaticRings: | 3 |
Unique Aglycone
AD53810
Formula: C14H10O2N2
Smiles:
O=C1CCc2nccc3c4ccc(O)cc4n1c23| HBA: | 4 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 2.48 | Num_rotatable_bonds: | 0 |
| MolWt: | 238.25 | Num_heavy_atoms: | 18 |
| TPSA: | 55.12 | NumAromaticRings: | 3 |
