Glycoside
GD039321
Name:
1-o-(4,6-difluoro-5-{4-[(2s)-oxan-2-yl]phenyl}-1h-indole-3-carbonyl)-beta-d-glucopyranuronic acidFormula:
C26H25O9NF2Smiles:
O=C(O[C@H]1O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@@H]1O)c1c[nH]c2cc(F)c(-c3ccc([C@@H]4CCCCO4)cc3)c(F)c12Aglycone:
O=C(O)c1c[nH]c2cc(F)c(-c3ccc(C4CCCCO4)cc3)c(F)c12Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | 2.4 | Num_rotatable_bonds: | 5 |
| MolWt: | 533.48 | Num_heavy_atoms: | 38 |
| TPSA: | 158.54 | NumAromaticRings: | 3 |
Unique Aglycone
AD13940
Formula: C20H17O3NF2
Smiles:
O=C(O)c1c[nH]c2cc(F)c(-c3ccc(C4CCCCO4)cc3)c(F)c12| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 5.05 | Num_rotatable_bonds: | 3 |
| MolWt: | 357.36 | Num_heavy_atoms: | 26 |
| TPSA: | 62.32 | NumAromaticRings: | 3 |
