Glycoside
GD106642
Name:
5,7-dihydroxy-6,8-bis[(morpholin-4-yl)methyl]-3-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4H-chromen-4-oneFormula:
C31H38O12N2Smiles:
O=c1c(-c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)coc2c(CN3CCOCC3)c(O)c(CN3CCOCC3)c(O)c12Aglycone:
O=c1c(-c2ccc(O)cc2)coc2c(CN3CCOCC3)c(O)c(CN3CCOCC3)c(O)c12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.52 |
| AlogP: | -0.29 | Num_rotatable_bonds: | 8 |
| MolWt: | 630.65 | Num_heavy_atoms: | 45 |
| TPSA: | 194.99 | NumAromaticRings: | 3 |
Unique Aglycone
AD44195
Formula: C25H28O7N2
Smiles:
O=c1c(-c2ccc(O)cc2)coc2c(CN3CCOCC3)c(O)c(CN3CCOCC3)c(O)c12| HBA: | 9 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 2.24 | Num_rotatable_bonds: | 5 |
| MolWt: | 468.51 | Num_heavy_atoms: | 34 |
| TPSA: | 115.84 | NumAromaticRings: | 3 |
