Glycoside
GD033890
Name:
8-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)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:
C25H26O11N2Smiles:
O=c1ccc2ncc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@](O)(CO)[C@H]3O)c3c4ccccc4n1c23Aglycone:
O=c1ccc2ncc(O)c3c4ccccc4n1c23Sugarmoiety:
OCC1OC(O)C(OC2OCC(O)(CO)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.44 |
| AlogP: | -1.92 | Num_rotatable_bonds: | 6 |
| MolWt: | 530.49 | Num_heavy_atoms: | 38 |
| TPSA: | 192.67 | NumAromaticRings: | 4 |
Unique Aglycone
AD20470
Formula: C14H8O2N2
Smiles:
O=c1ccc2ncc(O)c3c4ccccc4n1c23| 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 |
